Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation

Ville J. Härkönen*, Robert Van Leeuwen, E. K.U. Gross

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here resolves the problems arising from the translational and rotational invariance of this Hamiltonian that afflict the existing many-body Green's function theories. We derive a coupled set of exact equations for the electronic and nuclear Green's functions and provide a systematic way to approximately compute the properties of arbitrary many-body systems of electrons and nuclei beyond the Born-Oppenheimer approximation. The case of crystalline solids is discussed in detail.

Original languageAmerican English
Article number235153
JournalPhysical Review B
Volume101
Issue number23
DOIs
StatePublished - 15 Jun 2020

Bibliographical note

Publisher Copyright:
© 2020 authors. Published by the American Physical Society.

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