Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Effective Hamiltonian Study on the Valence States of NH and $NH^+$

  • Jong Keun Park (Department of Chemistry, Pusan National University) ;
  • Hosung Sun (Department of Chemistry, Pusan National University)
  • Published : 1990.02.20
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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.

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