TITLE

Application of the effective valence shell Hamiltonian method to accurate estimation of valence

AUTHOR(S)
Chaudhuri, Rajat K.; Mudholkar, Ani
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/8/1997, Vol. 106 Issue 22, p9252
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Discusses the use of the ab initio effective valence shell Hamiltonian (H [sup v] to compute the low lying vertical excitation energies and oscillator strengths for ethylene, trans-butadiene, benzene and cyclobutadiene. Agreement of calculated excitation energies with experiment and with valued from other highly correlated computations.
ACCESSION #
4149088

 

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