English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

A comprehensive and detailed account is presented for the finite-temperaturemany-body perturbation theory for electrons that expands in power series allthermodynamic functions on an equal footing. Algebraic recursions in the styleof the Rayleigh-Schr\"{o}dinger perturbation theory are derived for the grandpotential, chemical potential, internal energy, and entropy in the grandcanonical ensemble and for the Helmholtz energy, internal energy, and entropyin the canonical ensemble, leading to their sum-over-states analytical formulasat any arbitrary order. For the grand canonical ensemble, these sum-over-statesformulas are systematically transformed to sum-over-orbitals reduced analyticalformulas by the quantum-field-theoretical techniques of normal-ordered secondquantization and Feynman diagrams extended to finite temperature. It is foundthat the perturbation corrections to energies entering the recursions have tobe treated as a nondiagonal matrix, whose off-diagonal elements are generallynonzero within a subspace spanned by degenerate Slater determinants. They giverise to a unique set of linked diagrams -- renormalization diagrams -- whoseresolvent lines are displaced downwards, which are distinct from the well-knownanomalous diagrams of which one or more resolvent lines are erased. Alinked-diagram theorem is introduced that proves the size-consistency of thefinite-temperature many-body perturbation theory at any order. General-orderalgorithms implementing the recursions establish the convergence of theperturbation series towards the finite-temperaturefull-configuration-interaction limit unless the series diverges. Normal-orderedHamiltonian at finite temperature sheds light on the relationship between thefinite-temperature Hartree--Fock and first-order many-body perturbationtheories.

journal of chemical physics online/the journal of chemical physics/journal of chemical physics

Finite-temperature many-body perturbation theory for electrons:  Algebraic recursive definitions, second-quantized derivation, linked-diagram  theorem, general-order algorithms, grand canonical and canonical ensembles