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Hyperpolarizability approximations
Author(s) -
Goscinski Osvaldo,
Delhalle Joseph
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.560350612
Subject(s) - hyperpolarizability , operator (biology) , ground state , computational chemistry , oscillator strength , mathematics , quantum mechanics , chemistry , physics , polarizability , molecule , biochemistry , repressor , transcription factor , gene , spectral line
The approximation of hyperpolarizabilities through the use of operator inequalities is sketched. Previously applied methods to ordinary polarizabilities are extended. They lead to expressions involving moments of oscillator strength distributions related through sum rules to ground state properties. Systematic applications of new formulae are suggested.