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A many‐body diagrammatic theory of rotation–vibration spectra
Author(s) -
Biskupič Stanislav,
Kvasnička Vladimír
Publication year - 1989
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560350405
Subject(s) - diagrammatic reasoning , physics , hamiltonian (control theory) , eigenvalues and eigenvectors , formalism (music) , vibration , classical mechanics , spectral line , quantum mechanics , mathematics , computer science , art , mathematical optimization , musical , visual arts , programming language
Abstract A many‐body diagrammatic perturbation theory of rotation–vibration spectra is elaborated. The present approach is based on two many‐body techniques, namely on the second quantization formalism (a rotating–vibrating molecule is formally treated here as a system of interacting vibrons, obeying the Bose–Einstein statistics) and the many‐body diagrammatic theory of a model Hamiltonian, initially suggested in the microscopic theory of nuclei and in the last decade very frequently exploited in the accounting for the correlation effects in many electron systems. In the framework of this theory, the rotation–vibration energies are determined as the eigenvalues of a finite‐dimensional model eigenproblem.