Closed formulas for one‐ and two‐center harmonic oscillator integrals | Zendy

Palma A. | Zendy; Sandoval L. | Zendy; Morales J. | Zendy

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Closed formulas for one‐ and two‐center harmonic oscillator integrals

Author(s) -

Palma A.,

Sandoval L.,

Morales J.

Publication year - 1987

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.560320771

Subject(s) - center (category theory) , harmonic oscillator , mathematics , cauchy's integral formula , cauchy distribution , operator (biology) , hausdorff space , mathematical analysis , matrix (chemical analysis) , basis (linear algebra) , harmonic function , quantum harmonic oscillator , pure mathematics , physics , quantum mechanics , geometry , cauchy problem , initial value problem , biochemistry , chemistry , materials science , repressor , gene , transcription factor , composite material , crystallography

Closed formulas for one‐ and two‐center matrix elements are derived for an analytical arbitrary operator function in the harmonic oscillator basis. The method is based on the Baker–Campbell–Hausdorff ( BCH ) theorem and Cauchy's integral formula. A table is displayed showing some examples for the two‐center case. A pertinent relationship with other works is discussed.

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