The Correlative Method of Unsymmetrized Self-Consistent Field (CUSF)
Cl\'oves Gon\c{c}alves Rodrigues, Andr\'e Luiz Cardoso da Silva
TL;DR
The paper introduces the Correlative Method of Unsymmetrized Self-Consistent Field (CUSF), a theoretical approach for analyzing anharmonic crystalline solids using nonlinear equations for atomic distribution functions and potentials.
Contribution
It presents the fundamental concepts, equations, and thermodynamic analysis of the CUSF method for anharmonic crystals, including quantum corrections in a quasi-classical framework.
Findings
Development of nonlinear integrodifferential equations for atomic distributions
Application of CUSF to thermodynamics of anharmonic crystals
Inclusion of quantum corrections in the quasi-classical approximation
Abstract
In this work we describe the Correlative Method of Unsymmetrized Self-Consistent Field (CUSF). This method is based on a set of nonlinear integrodifferential equations for the one-particle configurational distribution functions and for the self-consistent potentials of the atoms. Here we present the fundamental concepts of the CUSF, the hypotheses of the method, the basic equations, the self-consistent potential, the thermodynamics of the anharmonic crystalline solids, and the quantum corrections in the quasi-classical approximation. Keywords: lattice theory and statistics; anharmonic crystals; thermodynamics.
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Taxonomy
TopicsMaterial Dynamics and Properties · Advanced Physical and Chemical Molecular Interactions · Phase Equilibria and Thermodynamics