The multi-configurational time-dependent Hartree method for bosons: Many-body dynamics of bosonic systems

TL;DR

This paper introduces the MCTDHB method, an exact many-body approach for simulating the dynamics of bosonic systems beyond mean-field theory, using time-dependent orbitals and coefficients.

Contribution

The paper develops the MCTDHB method, a novel variational approach that accurately models many-body bosonic dynamics with time-dependent orbitals and coefficients.

Findings

Implemented the MCTDHB numerical scheme.

Demonstrated the method on trapped Bose-Einstein condensates.

Showed improved accuracy over mean-field models.

Abstract

The evolution of Bose-Einstein condensates is amply described by the time-dependent Gross-Pitaevskii mean-field theory which assumes all bosons to reside in a single time-dependent one-particle state throughout the propagation process. In this work, we go beyond mean-field and develop an essentially-exact many-body theory for the propagation of the time-dependent Schr\"odinger equation of $N$ interacting identical bosons. In our theory, the time-dependent many-boson wavefunction is written as a sum of permanents assembled from orthogonal one-particle functions, or orbitals, where {\it both} the expansion coefficients {\it and} the permanents (orbitals) themselves are {\it time-dependent} and fully determined according to a standard time-dependent variational principle. By employing either the usual Lagrangian formulation or the Dirac-Frenkel variational principle we arrive at two sets of coupled equations-of-motion, one for the orbitals and one for the expansion coefficients. The first set comprises of first-order differential equations in time and non-linear integro-differential equations in position space, whereas the second set consists of first-order differential equations with time-dependent coefficients. We call our theory multi-configurational time-dependent Hartree for bosons, or MCTDHB($M$), where $M$ specifies the number of time-dependent orbitals used to construct the permanents. Numerical implementation of the theory is reported and illustrative numerical examples of many-body dynamics of trapped Bose-Einstein condensates are provided and discussed.