✦ LIBER ✦

A minimal basis-set CNDO/2(S + DES CI) study on the excited states of hydrogenated polysilane model compounds

✍ Scribed by Richard W. Bigelow

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 557 KB
Volume: 126
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)85117-x

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✦ Synopsis

Minimal basis-set CNDO/Z(S+ DES CI) computations on trans-H-(SiH,),-H and H-(SiH,),-H yield low-lying excitation energies and oscillator strengths which parallel existing experimental spectra. The S, -* S, transition moments are shown to be particularly sensitive to configuration mixing.