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Approximate sum rule for diatomic vibronic states as a tool for the evaluation of molecular properties

✍ Scribed by E.A. Pazyuk; A.V. Stolyarov; V.I. Pupyshev

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 465 KB
Volume: 228
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00900-7

No coin nor oath required. For personal study only.

✦ Synopsis

The approximate sum rule ( uI IfA V"gl ul > z I:,, < uI IA uZ > < y I g I u1 > (&, -Ey2 ) ", where f; g are operators which couple the vibrational levels I),, uz of two interacting electronic states and AU= U, -Us is the difference of the corresponding internuclear potentials, is numerically tested for radiative lifetimes, electronic polarizabilities, tine-structure constants and Land6 factors for the vibronic states of the NaK molecule. The approximation is demonstrated to have high accuracy and efftciency for nondiagonal systems, especially for those with significant continuum contributions. Simple ways of estimating the sum rule accuracy are given.

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