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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 13, Number 4
BKCSDE 13(4)
April 20, 1992 

 
Title
Ab initio Effective Hamiltonian Calculations on the Valence States of SiH, SiH+, PH and PH+
Author
Jong Keun Park, Hosung Sun*
Keywords
Abstract
The second order ab initio effective valence shall Hamiltonian (Hv) which is based on quasidegenerate many-body perturbation theory is applied to the SiH, PH, and their positive ions. A singie Hv computation for the neutral molecule is used for a whole set of valence states of a molecule and its ion simultaneously. The low-lying valence state potential energy curves of SiH, PH and their positive ions are computed. And various spectroscopic constants of the low-lying bound valence states are determined from the potential energy curves. The Hv results are found to be in good agreement with other theoretical and experimental data.
Page
429 - 440
Full Text
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