Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation
Other Condensed Matter
2020-06-23 v2 Quantum Physics
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.
Keywords
Cite
@article{arxiv.1906.06592,
title = {Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation},
author = {Ville J. Härkönen and Robert van Leeuwen and E. K. U. Gross},
journal= {arXiv preprint arXiv:1906.06592},
year = {2020}
}
Comments
21 pages, 1 figure