Projected Thermal Hartree-Fock-Bogoliubov approximation in a canonical ensemble
Giovanni Puddu
TL;DR
This paper analyzes the projected Thermal Hartree-Fock-Bogoliubov approximation within a canonical ensemble, providing practical methods for calculating traces, gradients, and expectation values.
Contribution
It introduces simple computational recipes for implementing the projected Thermal Hartree-Fock-Bogoliubov method in canonical ensembles.
Findings
Efficient evaluation techniques for traces and expectation values.
Enhanced understanding of quantum number projection in thermal approximations.
Practical algorithms for canonical ensemble calculations.
Abstract
The Thermal Hartree-Fock-Bogoliubov approximation with reprojection to good quantum numbers is analyzed in a canonical ensemble. Simple recipes are given for the evaluation of traces, gradients and expectation values in the canonical ensemble.
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Taxonomy
TopicsSpectroscopy and Quantum Chemical Studies · Quantum Mechanics and Non-Hermitian Physics · Advanced Chemical Physics Studies