6533b7d9fe1ef96bd126d6c2

RESEARCH PRODUCT

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

E. K. U. GrossE. K. U. GrossVille J. HärkönenRobert Van Leeuwen

subject

Born–Oppenheimer approximationFOS: Physical sciences02 engineering and technologyElectronKinetic energy01 natural sciencesMany bodytiiviin aineen fysiikkaGreen's function methodssymbols.namesake0103 physical sciencesCoulombkvanttifysiikka010306 general physicsPhysicsQuantum PhysicsExact differential equation021001 nanoscience & nanotechnologyMany-body techniquesCondensed Matter - Other Condensed MatterClassical mechanicssymbolsRotational invarianceCrystalline systemsapproksimointiQuantum Physics (quant-ph)0210 nano-technologyHamiltonian (quantum mechanics)Other Condensed Matter (cond-mat.other)

description

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.

yearjournalcountryeditionlanguage
2020-06-22
https://zenodo.org/record/6325785