Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation
| Autor: | E. K. U. Gross, Ville J. Härkönen, Robert van Leeuwen |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Born–Oppenheimer approximation
FOS: Physical sciences 02 engineering and technology Electron Kinetic energy 01 natural sciences Many body tiiviin aineen fysiikka Green's function methods symbols.namesake 0103 physical sciences Coulomb kvanttifysiikka 010306 general physics Physics Quantum Physics Exact differential equation 021001 nanoscience & nanotechnology Many-body techniques Condensed Matter - Other Condensed Matter Classical mechanics symbols Rotational invariance Crystalline systems approksimointi Quantum Physics (quant-ph) 0210 nano-technology Hamiltonian (quantum mechanics) Other Condensed Matter (cond-mat.other) |
| Zdroj: | Physical Review B |
| Popis: | 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. 21 pages, 1 figure |
| Databáze: | OpenAIRE |
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