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Calculations of Optical Transitions of the F 3 + Center
Author(s) -
Sati R.
Publication year - 1976
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220730135
Subject(s) - excited state , center (category theory) , ground state , wave function , atomic physics , physics , f center , state (computer science) , molecular orbital , configuration interaction , chemistry , quantum mechanics , molecule , mathematics , crystallography , electron , algorithm
Abstract All the low‐lying complete wave functions for the F 3 +center have been obtained in the molecular orbital approach. These functions are further improved by taking into account the interaction between different configurations. It is shown that the ground state is 1 A 1 and the first excited state is l E. The calculated transition energies are in reasonable agreement with the observed R + transitions.