Repartition of the quasi-stationary distribution and first exit point density for a double-well potential
Dorian Le Peutrec (LM-Orsay), Boris Nectoux

TL;DR
This paper analyzes the asymptotic distribution of overdamped Langevin dynamics in a double-well potential with degenerate barriers, revealing concentration phenomena and tunneling effects as temperature approaches zero.
Contribution
It provides a detailed study of the quasi-stationary distribution and first exit point behavior in small temperature regimes for systems with symmetric or asymmetric double-well potentials.
Findings
Quasi-stationary distribution concentrates in one well as temperature approaches zero.
Symmetries in the potential can lead to distribution concentration in both wells.
The study characterizes the tunneling effect and exit point distribution asymptotics.
Abstract
Let f : R d R be a smooth function and (Xt) t0 be the stochastic process solution to the overdamped Langevin dynamics dXt = ----f (Xt)dt + \sqrt h dBt. Let R d be a smooth bounded domain and assume that f | is a double-well potential with degenerate barriers. In this work, we study in the small temperature regime, i.e. when h 0 + , the asymptotic repartition of the quasi-stationary distribution of (Xt) t0 in within the two wells of f | . We show that this distribution generically concentrates in precisely one well of f | when h 0 + but can nevertheless concentrate in both wells when f | admits sufficient symmetries. This phenomenon corresponds to the so-called tunneling effect in semiclassical analysis. We also investigate in this setting the asymptotic behaviour when h…
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Taxonomy
TopicsQuantum chaos and dynamical systems · Diffusion and Search Dynamics · Theoretical and Computational Physics
Repartition of the quasi-stationary distribution and first exit point density for a double-well potential
Dorian Le Peutrec and Boris Nectoux Laboratoire de Mathématiques d’Orsay, Univ. Paris-Sud, CNRS, Université Paris-Saclay, 91405 Orsay, France. E-mail: [email protected] für Analysis und Scientific Computing, E101-TU Wien, Wiedner Hauptstr. 8, 1040 Wien, Austria. E-mail: [email protected]
Abstract
Let be a smooth function and be the stochastic process solution to the overdamped Langevin dynamics
[TABLE]
Let be a smooth bounded domain and assume that is a double-well potential with degenerate barriers. In this work, we study in the small temperature regime, i.e. when , the asymptotic repartition of the quasi-stationary distribution of in within the two wells of . We show that this distribution generically concentrates in precisely one well of when but can nevertheless concentrate in both wells when admits sufficient symmetries. This phenomenon corresponds to the so-called tunneling effect in semiclassical analysis. We also investigate in this setting the asymptotic behaviour when of the first exit point distribution from of when is distributed according to the quasi-stationary distribution.
Key words: overdamped Langevin process, double-well, metastability, tunneling effect, semiclassical analysis, quasi-stationary distribution.
AMS classification (2010): 35P15, 35P20, 47F05, 35Q82.
Setting and results
Quasi-stationary distribution and purpose of this work
Let be the stochastic process solution to the overdamped Langevin dynamics in :
[TABLE]
where is the potential (chosen in all this work), is the temperature and is a standard -dimensional Brownian motion. Let be a bounded open and connected subset of and introduce
[TABLE]
the first exit time from . A quasi-stationary distribution for the process (1) on is a probability measure on such that, when is distributed according to , what we will denote in the following by , it holds for any time and any Borel set ,
[TABLE]
From [5, 10, 17, 22], there exists a probability measure supported in such that for any probability measure on : when , one has for any borel set ,
[TABLE]
It follows from (2) that is the unique quasi-stationary distribution for the process (1) on .
In molecular dynamics, the quasi-stationary distribution is used to quantify the metastability of the subdomain of as follows: for a probability measure supported in , the domain is said to be metastable for the initial condition if, when , the convergence in (2) is much quicker than the average exit time from . When is metastable, it is thus relevant to study the exit event of the process (1) from starting from , i.e. when . This is used in several algorithms aiming at accelarating the sampling of the exit even from a metastable domain, see for instance [1, 24, 17, 21]. The study of the metastability is a very active field of science research which is at the heart of the numerical challenges observed in molecular dynamics. We refer in particular to [19] for an overview on this topic.
In this work, we study the repartition when of the quasi-stationary distribution within the wells of a double-well Morse potential with degenerate barriers (see the assumption [H-Well] below). We show in particular that generically concentrates in one well (see Theorem 1 below) but can also concentrate in both wells when the function is (nearly) even (see Theorems 2 and 3 below). According to the analysis led in [7] (see also the preprint [6] which concatenates the results of [7] and of [18]), the second phenomenon can only appear when the potential function admits degenerate deepest barriers. It is particularly unstable (see Remark 4 below) and arises from a strong tunneling effect between the wells. The asymptotic behaviour of the law of when is also investigated in order to discuss the metastability of for deterministic initial conditions within the wells.
Connections with the existing literature
As it will be clearly stated below in the first part of Section 1.4, the quasi-distribution is completely characterized by the ground state of the Dirichlet realization of the infinitesimal generator of the diffusion (1),
[TABLE]
where is the usual Witten Laplacian acting on functions. In this respect, the techniques used in this work originate from the semiclassical literature dealing with the obtention of sharp asymptotics on the low spectrum of in the limit and we refer in particular in this direction to [12] in the case without boundary and to [13] in the case of Dirichlet boundary conditions (see also the prior related works [3, 4] using potential-theoretic methods and which motivated [12, 13]). However, these references focus on the low spectrum of and not really on the concentration of the corresponding eigenfunctions. In addition, though they consider multiple-well Morse potentials, they do not consider the case of degenerate barriers. The case of general Morse potentials , allowing in particular degenerate barriers, has nevertheless been recently treated in the case without boundary in [20] (see also [2] for related results) using the techniques of [12, 13].
More closely related to the present work, the already mentioned paper [7] involving both authors generalizes in particular the results of [13] to more general multiple-well Morse potentials but actually focuses on where the quasi-stationary distribution (or equivalently the ground state) concentrates in and where the exit point distribution concentrates on . Moreover, our results heavily rely on intermediate results proven in [7] (see Propositions 2 and 4 in Section 2.1.2). However, the degenerate situation considered in the present paper is excluded in [7], where the principal barrier of is assumed to be non degenerate (see indeed [7, Assumption (A1)]).
Double-well potential
We assume more generally from now on that is a oriented compact and connected Riemannian manifold of dimension with boundary . The basic assumption in this work is the following:
- [H-Well]: The function belongs to , on , and and are Morse functions. Moreover, the function has only two local minima and in which satisfy
[TABLE]
Finally, the open set has precisely two connected components, denoted by and , such that for all ,
[TABLE]
Under the assumption [H-Well], the potential function has precisely two wells, namely the open sets and . This double-well potential is moreover said to have degenerate barriers since the depths of and are the same and equal (see Figure 1)
[TABLE]
Let us also recall that a function is a Morse function if all its critical points are non degenerate. This implies in particular that has a finite number of critical points.
When replacing the assumption by in [H-Well] (i.e. when the barriers are not degenerate), it is proved in [7, Proposition 9] that the quasi-stationary distribution concentrates in when . This work aims precisely at studying the degenerate case which introduces some additional technical difficulties, see the next section for some explanation.
Let us assume from now on that the assumption [H-Well] is satisfed. The set of saddle points of of index in is denoted by . Let us also define
[TABLE]
and
[TABLE]
According to the terminology of [13, Section 5.2], we call the elements of the generalized saddle points for the Witten Laplacian acting on -forms with tangential Dirichlet boundary conditions on . Note that does not have any saddle point on (since there) but that extending by outside (which is consistent with zero boundary Dirichlet conditions), the elements of are geometrically saddle points (since for such an element , is a local minimum of and a local maximum of , where is the straight line passing through and orthogonal to at ).
Notice that from the assumption [H-Well], one has for all :
[TABLE]
Let us define, for , by
[TABLE]
One defines furthermore by
[TABLE]
where ( meaning \mathsf{U}_{1}^{\overline{\Omega}}\setminus\big{(}\cup_{j=1}^{2}\partial\mathsf{C}_{j}\cap\partial\Omega\big{)}=\emptyset). From [7, Proposition 15], it holds
[TABLE]
and one orders so that
[TABLE]
where . Note finally the relation
[TABLE]
See Figures 2 and 3 for a schematic representation of the potential under [H-Well] when and when .
Results
Preliminary spectral analysis
Let be the infinitesimal generator of the diffusion (1),
[TABLE]
where is the Hodge Laplacian on and the gradient associated with the metric tensor on . Let moreover be the differential operator on with domain
[TABLE]
The operator is self-adjoint, positive, and has compact resolvent. Moreover, its smallest eigenvalue is positive, non degenerate, and any eigenfunction associated with has a sign on (see for instance [9, Section 6]). Let be an eigenfunction associated with . According to [17], the quasi-stationary distribution is then given by
[TABLE]
where is the Lebesgue measure on . We assume furthermore from now on that
[TABLE]
In view of (6), in order to study the asymptotic behaviour of when , we look for an accurate approximation of . This is delicate since exponentially small eigenvalues of the same order are into play. Indeed, according to [7, Theorem 4], under [H-Well], it holds
[TABLE]
and there exists such that for every small enough,
[TABLE]
where denotes the second smallest eigenvalue of . This makes in particular difficult to properly estimate by simply projecting a well chosen quasi-mode on since the quality of such an approximation is typically bounded from above by the quotient which does not tend to [math] when . To overcome this difficulty, the key point relies on the fact that we are able to precisely analyse the restriction of to the eigenspace associated with and . Indeed, this eigenspace has dimension two and the remaining eigenvalues of are bounded from below by 111They are actually bounded from below by some positive constant.. More precisely, we have according to [13, Theorem 3.2.3] the
Lemma 1**.**
Let us assume that the hypothesis [H-Well] is satisfied. Then, there exists such that for all ,
[TABLE]
where is the orthogonal projector on the vector space associated with the eigenvalues of in .
Remark 1**.**
As a consequence of Lemma 1, there exists such that for every , the second smallest eigenvalue of is non degenerate.
Moreover, it follows from the general analysis led in [7] that the matrix of L^{D,(0)}_{f,h}\big{|}_{{\rm Ran}\,\pi_{[0,\frac{\sqrt{h}}{2})}\left(L^{D,(0)}_{f,h}\right)} satisfies Proposition 1 below. Before stating it, let us introduce the following notation. For , one writes if there exist and such that for all ,
[TABLE]
In addition, for , one says that admits a full asymptotic expansion in , and one writes , if there exists a sequence such that for any , it holds in the limit :
[TABLE]
Proposition 1**.**
Let us assume that the hypothesis [H-Well] is satisfied. Then, there exists such that for every , there exists an orthonormal basis of such that the matrix of the restriction of to in has the form:
[TABLE]
where is defined in (3),
- •
* satisfies in the limit :*
[TABLE]
for some independent of and where the symbol is defined in (8),
- •
there exist two sequences and such that for , in the limit :
[TABLE]
where the symbol is defined in (9) and
[TABLE]
Moreover, when , one has for every ,
[TABLE]
where is the negative eigenvalue of . Finally, the sequence (resp. ) only depends on the values of the derivatives of at and on \partial\mathsf{C}_{1}\cap\big{(}\partial\Omega\cup\partial\mathsf{C}_{2}\big{)} (resp. of the derivatives of at and on \partial\mathsf{C}_{2}\cap\big{(}\partial\Omega\cup\partial\mathsf{C}_{1}\big{)}).
Proposition 1 will be proven in Section 2.1. It permits to reduce the study of the asymptotic repartition of within the wells and to linear algebra considerations in dimension two. Then, when , the study of the asymptotic concentration of the law of (which occurs on a subset of , see [7, Definition 1] for a precise definition) follows from the analysis made in [7] and based on the following formula [17]: for any , it holds
[TABLE]
where the notation stands for the expectation when .
Results when concentrates in precisely one well when
Let us define here the following assumption:
- [H1]: The assumption [H-Well] is satisfied, there exists such that
[TABLE]
and it holds
[TABLE]
Note that the assumption [H1] is generic (given an arbitrary function satisfying [H-Well]) according to the following:
- •
when and the asymptotic expansion in of and in (12) differ (i.e. when ), the assumption [H1] is satisfied and there exists such that when (see indeed (11)),
[TABLE]
- •
when the assumption [H1] is, according to (11) and (12), equivalent to , where and are defined in (13). In this case, when :
[TABLE]
Our main result under the generic assumption [H1] is the following. It implies in particular that when [H1] holds together with (16), concentrates in any neighborhood of (i.e. for any open subset of containing , see more precisely (21) below). This can be roughly explained as follows: when [H1] holds, the term can be neglected in the expression of the matrix given in (10), and (16) breaks the symmetry between the two wells and , ensuring more precisely the concentration of in .
Theorem 1**.**
Let us assume that the hypotheses [H-Well] and [H1] together with (16) are satisfied. Let be the quasi-stationary distribution of the process (1) on (see (6)). Let be an open neighborhood of and be an open neighborhood of such that . Then, there exists such that in the limit :
[TABLE]
where for ,
[TABLE]
Moreover, for any and for any family of disjoint open neighborhoods of in , there exists such that in the limit :
[TABLE]
and
[TABLE]
In addition, when, for some , is around , one has when :
[TABLE]
where, for and , the constant is defined by
[TABLE]
Remark 2**.**
When [H-Well] and [H1] are satisfied, one also obtains from Proposition 1 sharp asymptotic estimates on the two smallest eigenvalues of when , see indeed (54) and (55).
From Theorem 1, when [H-Well] holds and [H1] is satisfied with (16), the quasi-stationary distribution concentrates when in and more precisely around any arbitrary small neighborhood of . Moreover, when , the law of concentrates when on with an explicit repartition given by (25). Adapting the proof of [6, Proposition 11] (see also [18]) by using (20) and (21), one can also show that when , the law of concentrates when on with the same repartition as when . This exhibits a metastable behavior for such initial conditions. Moreover, when on , it follows from [6, Theorem 2] that when , the law of concentrates when on with the repartition given by (25) (with ). This exhibits a non metastable behavior for such initial conditions.
To connect with the literature dealing with semiclassical Schrödinger operators of the form on manifolds without boundary (where is a potential function independent of ), one can say in this situation that the tunneling effect between the two wells is too weak to mix their respective properties and that these two wells are hence somehow independent, that is, in the terminology of [16, 15], weakly resonant or non resonant. We also refer to [11] for an overview on this topic for semiclassical Schrödinger operators (see in particular pp. 41–42 there). Notice lastly that (21) shows that some tunneling effect of order appears nevertheless when (see indeed (19)), contrary to the case when and do not have the same asymptotic expansion, see (18). As expected, when , the independence between the two wells in this case is hence generically weaker.
Results when concentrates in both wells when
Let us define here the following assumption:
- [H2]: The assumption [H-Well] is satisfied. Moreover, there exists such that for all , it holds
[TABLE]
Let us exhibit situations where the assumption [H2] is satisfied.
- •
When , the assumption [H2] is satisfied if and only if and . This equivalence follows from (11) and (12). Therefore, when , using (13) and (14), the assumption [H2] is satisfied if and only if
[TABLE]
and
[TABLE]
Moreover, it holds in this case:
[TABLE]
- •
Let us assume that is an even function as defined by (34) below. Then, from Theorem 3 below, the assumption [H2] is satisfied (see indeed Remark 7).
Remark 3**.**
When , we are not able to explicit assumptions on which imply [H2] except in the symmetric situation described in Theorem 3. Note in particular that when and [H2] holds, one has when : \alpha_{1}(h)=\alpha_{2}(h)\,\big{(}1+O\big{(}e^{-\frac{c}{h}}\big{)}\big{)} (which follows from [H2], (12) and the fact that \varepsilon(h)=O\big{(}e^{-\frac{c}{h}}\big{)}, see (11)) and thus:
[TABLE]
Moreover, it also holds in this case \lambda_{1}(h)=\lambda_{2}(h)\big{(}1+\mathcal{O}\big{(}e^{-\frac{c}{h}})\big{)} (see (67)).
Remark 4**.**
The assumption [H2] is non generic, that is unstable with respect to perturbations of the potential in the following sense. For any satisfying [H2], it follows from (26)–(28) that there exists an arbitrary small perturbation such that satisfies [H1]. Then, according to Theorem 1, the quasi-stationary distribution for the potential concentrates when in precisely one of the wells or .
The following result shows that when [H2] is satisfied, the quasi-stationary distribution concentrates when in the two wells and .
Theorem 2**.**
Let us assume that the hypotheses [H-Well] and [H2] are satisfied. Let be the quasi-stationary distribution of the process (1) on (see (6)). Let be an open neighborhood of and be an open neighborhood of such that . Then, there exists such that in the limit :
[TABLE]
where, for ,
[TABLE]
where, defining by ,
[TABLE]
Moreover, for any and for any family of disjoint open neighborhoods of in , there exists such that in the limit :
[TABLE]
Lastly, when, for some , is around , one has when :
[TABLE]
where is defined in (31) and is defined in (25).
Remark 5**.**
When [H-Well] and [H2] are satisfied, one also gives sharp asymptotic estimates on the two smallest eigenvalues of when , see indeed (67), (68) and (69).
When [H-Well] and [H1] hold, Theorem 2 implies that the quasi-stationary distribution concentrates when in and , and more precisely around any arbitrary small neighborhood of and . Note also that when , the coefficient (31) specifying the repartition of within the wells equals according to (27). Moreover, when the law of concentrates when on with an explicit repartition given by (25). In addition, when on , it follows from [6, Theorem 2] that when , , the law of concentrates when on with the repartition given by (25). This shows that in this case the domain is not metastable for deterministic initial conditions within .
Connecting again with the literature dealing with semiclassical Schrödinger operators of the form on manifolds without boundary, when the assumptions [H-Well] and [H2] are satisfied, a strong tunneling effect appears when and mixes the respective properties of both wells. We refer to [11, pp. 45–46] for a symmetric case with two wells and to [16] for more general symmetric situations.
Let us conclude this section by specifying the statement of Theorem 2 in a completely symmetric situation. To this end, we recall that an isometry is a diffeomorphism which satisfies, for all and all : , where is the scalar product associated with the metric of on the tangent bundle . One says moreover that is even if there exists an isometry such that
[TABLE]
where is the identity map on . When is even, the following improvement of Theorem 2 holds.
Theorem 3**.**
Let us assume that the hypothesis [H-Well] is satisfied. Let be the quasi-stationary distribution of the process on (see (6)). Assume that is an even function as defined by (34). Then, the assumption [H2] is satisfied with in particular, for all small enough:
[TABLE]
Furthermore, let be an open neighborhood of and be an open neighborhood of such that . Then, for , there exists such that in the limit :
[TABLE]
Moreover, one has (see (4)) and the asymptotic estimates (32) and (33).
Proof of our main results
Proof of Proposition 1
The operator
For , one denotes by the space of -forms on and by the subset of made of the -forms such that on , where denotes the tangential trace on forms. We recall that on means that the restriction to of the -form vanishes when applied to tangential vector fields, and we refer e.g. to [23, Equation (2.25)] for a rigorous definition of the tangential trace. For , one denotes by the weighted Sobolev spaces of -forms with regularity index , for the weight on (where the subscript refers to the fact that the weight function appears in the inner product), and we refer again to [23] for an introduction to weighted Sobolev spaces on manifolds with boundaries. The set is then defined by
[TABLE]
We will denote by the norm on the weighted space and by the scalar product on . Notice that is the space and is the space introduced in the definition of in Section 1.4.
In the following, one denotes respectively by and the exterior and the co-differential derivatives on . Let us introduce the differential operator
[TABLE]
acting on , where is the Hodge Laplacian on , is the Lie derivative with respect to the vector field , and its formal adjoint in . The (tangential) Dirichlet realization of is denoted by and its domain is
[TABLE]
From [13, Section 2.4], the operator is self-adjoint, positive and has compact resolvent. One has moreover the following result from [13, Theorem 3.2.3].
Lemma 2**.**
Under the assumption [H-Well], there exists such that for all ,
[TABLE]
where is defined in (5) and is the orthogonal projector on the vector space associated with the eigenvalues of in .
In the following, the exterior differential will be denoted, with a slight abuse of notation, by . For ease of notation, one also denotes, for ,
[TABLE]
From [13, Corollary 2.4.4], the following relation holds on :
[TABLE]
This implies in particular that
[TABLE]
and then, when [H-Well] holds, according to Lemma 1, that for every small enough,
[TABLE]
We refer to [7, Section 3.1.2] for more details concerning this section.
Proof of Proposition 1
In the following, we assume that [H-Well] holds.
The finite dimensional vector spaces and are endowed with the scalar product of introduced in Section 2.1.1. Moreover, the set is ordered using the lexicographical order, i.e.
[TABLE]
where we recall , \mathsf{n}_{2}=\text{Card }\big{(}\partial\mathsf{C}_{2}\cap\partial\Omega\big{)}, \mathsf{m}_{3}=\text{Card }\big{(}\partial\mathsf{C}_{1}\cap\partial\mathsf{C}_{2}\big{)} and \mathsf{n}_{3}=\text{Card }\big{(}\mathsf{U}_{1}^{\overline{\Omega}}\setminus(\cup_{k=1}^{2}\partial\mathsf{C}_{k}\cap\partial\Omega)\big{)}=\mathsf{m}_{1}^{\overline{\Omega}}-\mathsf{n}_{1}-\mathsf{n}_{2} are defined in Section 1.3.
Let us now define
[TABLE]
where, for , is compactly supported in , and have disjoint supports, and for some small and ,
[TABLE]
Let us also consider a family of -unitary -forms
[TABLE]
such that, for , , and for some small , .
It then holds, for every , , and (for small enough):
[TABLE]
Taking, for every , as a (normalized) truncated principal eigen--form of a local Witten Laplacian defined around with Dirichlet boundary conditions 222Actually, when and denotes its corresponding neighborhood in , (full) Dirichlet boundary conditions are considered on while only tangential Dirichlet boundary conditions are considered on ., we obtain the following proposition (see [7, Section 3.2.2 and Definition 42] and references therein for details). It gathers the statements of [7, Propositions 43 and 47] which are the starting points of our analysis.
Proposition 2**.**
Let us assume that the function satisfies [H-Well]. Then, the families and defined in (38), (39) can be chosen so that the following estimates hold when (where is defined in (3)):
There exists such that:
- a)
for every , it holds
[TABLE]
- b)
for every and , it holds
[TABLE] 2. 2.
For every and , there exists a real constant independent of such that it holds
[TABLE]
where the remainder terms admit a full asymptotic expansion in , and
[TABLE]
*where denotes the negative eigenvalue of . *
Remark 6**.**
In the second item in Proposition 2, notice that it follows from the notation introduced in Section 1.3 that for every and , one has:
- •
* if and only if (and thus ),*
- •
* if and only if (and thus ).*
As a consequence of (40) and the first item in Proposition 2, there exists such that it holds in the limit :
[TABLE]
and
[TABLE]
It then follows from Lemmata 1 and 2 that, for every small enough, the family \big{(}\pi_{h}^{(0)}\widetilde{u}_{k}\big{)}_{k\in\{1,2\}} is a basis of and that \big{(}\pi_{h}^{(1)}\widetilde{\psi}_{i_{j}}\big{)}_{(i,j)\in\bigcup_{p=1}^{3}\{p\}\times\{1,\dots,\mathsf{n}_{p}\}} is a basis of .
Let us now define the matrix
[TABLE]
According to the two items in Propositions 2, and using the identity
[TABLE]
which follows from (35), there exists such that the coefficients of satisfy when :
[TABLE]
Let us denote by and the following families written as row vectors,
[TABLE]
and define
[TABLE]
where and are defined in (42) and (43). For every small enough, the families and are then respectively orthonormal bases of and of .
The matrix of L_{f,h}^{D,(0)}\big{|}_{\operatorname{Ran}\pi_{h}^{(0)}} in the basis is given by
[TABLE]
This matrix is sometimes called the interaction matrix in the literature dealing with the study of semiclassical Schrödinger operators (see e.g. [14] or [8]). Moreover, the matrix of (see (36)) in the bases and is given by
[TABLE]
where is defined in (44). Since L_{f,h}^{D,(0)}\big{|}_{{\rm Ran}\,\pi_{h}^{(0)}}=\frac{h}{2}\nabla^{*}\nabla, the matrix satisfies
[TABLE]
In order to prove Proposition 1, it is then sufficient to get asymptotic estimates on the coefficients of the matrix . This is the purpose of the next proposition.
Proposition 3**.**
Let us assume that the hypothesis [H-Well] is satisfied. Let be defined by (38). Let and \big{(}\psi_{i_{j}}\big{)}_{(i,j)\in\bigcup_{p=1}^{3}\{p\}\times\{1,\dots,\mathsf{n}_{p}\}} be defined by (46). Then, for all , there exists such that when :
- i)
for every ,
[TABLE] 2. ii)
for every with ,
[TABLE] 3. iii)
for every ,
[TABLE] 4. iv)
and for all ,
[TABLE]
where we recall that (see (3)), the coefficients are defined in (41), and the terms admit a full asymptotic expansion in .
Proof.
The results of Proposition 3 follow from (42)–(45), (48), and item 2 in Proposition 2 (see also Remark 6).
Proposition 1 is a consequence of Proposition 3 and of (49). They indeed imply the existence of some such that when , the coefficients , , and defined by (10) satisfy
[TABLE]
and, for ,
[TABLE]
where the ’s are defined in (41) and the remainder terms admit a full asymptotic expansion in . The relations (11)–(14) follow.
Let us conclude this section by noticing the following consequences of Proposition 1 which will needed in upcoming computations.
From (10), it holds for and every small enough:
[TABLE]
where denote the two smallest eigenvalues of . It then follows from (51), (50), and (12) that and admit a full asymptotic expansion in when and in when .
From (10), since is the principal eigenfunction of satisfying (7), one has for any small enough:
– either , in which case one has necessarily (since ) and then
[TABLE]
where the functions and are defined by (46) and is such that \alpha_{i}(h)=\min\big{(}\alpha_{1}(h),\alpha_{2}(h)\big{)},
– or , in which case (51) and an elementary computation lead to
[TABLE]
where is defined by
[TABLE]
We conclude this section by stating the following proposition which will also be needed to study the asymptotic behaviour when of the law of when . It is the statement of [7, Proposition 65] in our specific setting.
Proposition 4**.**
Let us assume that the hypothesis [H-Well] is satisfied. Let \big{(}\psi_{i_{j}}\big{)}_{(i,j)\in\bigcup_{p=1}^{3}\{p\}\times\{1,\dots,\mathsf{n}_{p}\}} be defined by (46). Let be an open subset of and . One then has for every , when ,
[TABLE]
where the constant is independent of . Moreover, when , , and is around , it holds
[TABLE]
where the above remainder term admits a full asymptotic expansion in .
Proof of Theorem 1
In this Section, one proves Theorem 1. To this end, let us assume that the hypotheses [H-Well] and [H1], with (16), are satisfied. Then, from (51), (11), and (12), one has in the limit :
- •
when , it holds \varepsilon(h)=\mathcal{O}\big{(}e^{-\frac{c}{h}}) for some and then, for every ,
[TABLE]
- •
when , it holds and then, for every ,
[TABLE]
where, the remainder term \mathcal{O}\big{(}\sqrt{h}\big{)} in (55) admits a full asymptotic expansion in .
Moreover, there exists such that for all ,
[TABLE]
where is defined in (53) and is defined in (46) (notice that (56) holds in ). Indeed, this is simply the relation (52) when . In addition, when and (the latter relation follows from (16)), it holds , that is precisely the relation (56) since in this case is well defined and (see indeed (53)).
Since [H1] implies that , one moreover obtains from (53) that in the limit :
[TABLE]
From (56), (57) together with on , on , (42), and (46), one has, for every small enough: \big{\langle}u_{h},\widetilde{u}_{1}\big{\rangle}_{L^{2}_{w}}=1+o(1) and then
[TABLE]
Therefore, using (42), (46), and (57), there exists such that for every small enough:
[TABLE]
From (59), one deduces the following proposition which implies, using in addition (6) and (57), the asymptotic estimates (20) and (21) in Theorem 1.
Proposition 5**.**
Let us assume that the hypotheses [H-Well] and [H1] together with (16) are satisfied. Let be the principal eigenfunction of satisfying (7) and be the functions introduced in (38). Then, for every open set and for every small enough:
- i)
When , one has
[TABLE]
where is independent of and satisfies (57). 2. ii)
When , it holds
[TABLE]
where we recall satisfies (57) and is independent of . 3. iii)
When , it holds
[TABLE]
Proof.
The relation (59) leads to
[TABLE]
where is independent of . In addition, one has, for , from (38) and it follows from the Laplace method that there exists such that for any , when ,
[TABLE]
The statement of Proposition 5 follows easily.
We also deduce from (58) and Proposition 3 together with (57) the following estimates.
Proposition 6**.**
Let us assume that the hypotheses [H-Well] and [H1] together with (16) are satisfied. Let be the principal eigenfunction of satisfying (7). Let also and \big{(}\widetilde{\psi}_{i_{j}}\big{)}_{(i,j)\in\bigcup_{p=1}^{3}\{p\}\times\{1,\dots,\mathsf{n}_{p}\}} be as in Proposition 2, and \big{(}\psi_{i_{j}}\big{)}_{(i,j)\in\bigcup_{p=1}^{3}\{p\}\times\{1,\dots,\mathsf{n}_{p}\}} be defined by (46). Then, there exists such that in the limit :
- i)
For every ,
[TABLE]
where is defined in (41) and satisfies (57). 2. ii)
For every ,
[TABLE] 3. iii)
When and or, and ,
[TABLE]
We are now in position to prove Theorem 1.
End of the proof Theorem 1.
To conclude the proof Theorem 1, it remains to prove (22), (23) and (24). Let assume that [H-Well] and [H1] hold with (16) and let us consider . Let us recall that from (15), one has
[TABLE]
Sharp asymptotic estimates when of and are respectively given in (54), (55) and in Proposition 5. Therefore, to prove (22), (23) and (24), it only remains to estimate when , for an open subset of , the term .
Since the family introduced in (46) is an orthonormal basis of , it holds when , from the Parseval identity and from Propositions 4 and 6,
[TABLE]
for some independent of . When does not contain any of the ’s for , one has, using again Propositions 4 and 6:
[TABLE]
where is independent of .
Assume now that does not contain any of the ’s for . One then has in the limit , using Propositions 4 and 6 and defining :
[TABLE]
where is independent of .
Finally, let us assume that and is around . One then has, using (41), Propositions 4 and 6:
[TABLE]
The estimates (22), (23) and (24), follows from (15) and (63)–(65), using in addition (57), (54), (55), and Proposition 5. This concludes the proof of Theorem 1.
Proofs of Theorems 2 and 3
Let us assume in this section that the hypotheses [H-Well] and [H2] are satisfied. We recall that [H2] means that there exists such that for all ,
[TABLE]
We then deduce from (51) the following:
- •
when , using in addition (12) and the fact that \varepsilon(h)=\mathcal{O}\big{(}e^{-\frac{c}{h}}) for some (see (11)), it holds when :
[TABLE]
and
[TABLE]
- •
when , using in addition (12), the fact that (see (11)) and (see (26), (27) and (13)) it holds for when :
[TABLE]
where, the remainder term \mathcal{O}\big{(}\sqrt{h}\big{)} in (69) admits a full asymptotic expansion in .
Remark 7**.**
When there exists an isometry satisfying (34), i.e. such that , , and , it necessarily holds and . For every small enough, it follows moreover from the simplicity of the eigenvalues and (see Remark 1) and from the positivity of in that and , where denotes any eigenvector of associated with . In addition, one can choose and such that in (38). This leads, for small enough, to , and hence to
[TABLE]
and
[TABLE]
It then follows from (42), (47), and (10) that for small enough, and hence, using , that . The relation (66) is thus in particular satisfied in this situation.
Moreover, there exists such that for all ,
[TABLE]
where is defined in (53) and is defined in (46). This is indeed simply (52) since according to (66). Using (66) and (53), one obtains moreover that when :
[TABLE]
From (70), (71) together with on , on , (42), and (46), one has, for every small enough, \big{\langle}u_{h},\widetilde{u}_{1}\big{\rangle}_{L^{2}_{w}}=\frac{1}{\sqrt{2}}+o(1) and 0<\big{\langle}u_{h},\widetilde{u}_{2}\big{\rangle}_{L^{2}_{w}}=-\frac{|\varepsilon(h)|}{\sqrt{2}\,\varepsilon(h)}+o(1). It follows that for every small enough: ,
[TABLE]
and
[TABLE]
Moreover, using (42), (46), and (72), the equality (73) implies that there exists such that for every small enough,
[TABLE]
From (73), one deduces the following proposition which implies, using in addition (6) and (72), the asymptotic estimates (29) and (30) in Theorem 2.
Proposition 7**.**
Let us assume that the hypotheses [H-Well] and [H2] are satisfied. Let be the principal eigenfunction of satisfying (7) and let be the functions introduced in (38). Then, for any open subset of and for small enough:
- i)
When, for some , , it holds
[TABLE]
where is independent of and satisfies (72). 2. ii)
When , one has
[TABLE]
Proof.
The proof of Proposition 7 is similar to that one of Proposition 5 using (74) instead of (59).
Remark 8**.**
Let us assume as in Remark 7 that there exists an isometry satisfying (34) and denote by and two disjoint open sets such that for . Using Proposition 7 and the fact that, for every small enough, , and hence , it holds for :
[TABLE]
This implies the first part of Theorem 3.
From (73) and Proposition 3, one deduces the following estimates.
Proposition 8**.**
Let us assume that the hypotheses [H-Well] and [H2] are satisfied. Let be the principal eigenfunction of satisfying (7). Let moreover and be as in Proposition 2, and be defined by (46). Then, there exists such that in the limit :
- i)
For every and ,
[TABLE]
where is defined in (41) and satisfies (72). 2. ii)
For every ,
[TABLE] 3. iii)
For every ,
[TABLE]
End of the proofs Theorems 2 and 3.
Let us assume that the hypotheses [H-Well] and [H2] are satisfied. It remains to prove the asymptotic estimates (32) and (33). We proceed as we did at the end of Section 2.2 to prove (22), (23), and (24). Let us then consider .
Let us first assume that does not contain any of the ’s for . Then, using (61) together with Propositions 4 and 8, one has in the limit :
[TABLE]
for some independent of .
Let us now assume that {\Sigma}\cap\big{\{}z_{i,j},(i,j)\in\bigcup_{p=1}^{2}\{p\}\times\{1,\dots,\mathsf{n}_{p}\}\big{\}}=\{z_{p,\ell}\} and that is around . Then, using again (61) together with Propositions 4 and 8, one has when , defining ,
[TABLE]
where is independent of and satisfies (72). The asymptotic estimates (32) and (33) are then straightforward consequences of (15) and (75), (76), using in addition (68), (69), and Proposition 7. This concludes the proof of Theorems 2 and 3.
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