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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 11, Number 1
BKCSDE 11(1)
January 20, 1990 

 
Title
Effective Hamiltonian Study on the Valence States of NH and NH+
Author
Jong Keun Park, Hosung Sun*
Keywords
Abstract
The second order ab initio effective valence shell Hamiltonian is calculated for the valence state potential energy curves of NH and NH+. From the potential energy curves various spectroscopic constants of valence states are determined. The results are in good agreement with experiments and configuration interaction calculations. They show the composite picture of potential energy curves and also indicate that the second order effective Hamiltonian theory is adequate for describing various valence states of a molecule and its ions simultaneously.
Page
34 - 41
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