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Coordinate rotated TDHF excitation energies Li − 1 S → 1 P
Author(s) -
Nielsen Egon S.,
Simons Jack
Publication year - 1982
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.560220206
Subject(s) - excited state , metastability , excitation , atomic physics , rotation (mathematics) , chemistry , scattering , physics , quantum mechanics , geometry , mathematics , organic chemistry
We present the first application of the coordinate rotation method, within the time‐dependent Hartree–Fock framework, to calculation of positions and widths of metastable excited states. The method is briefly outlined and results of its application to 1 P excited states of Li − are given. Comparison of our results to those obtained using electron scattering methods by other workers is also made.