Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
The Approximate Self-Consistent Renormalized RPA: The Electronic Excited States of DNA Bases in the CNDO/S Method
Hirotoshi ItoYasumasa J. I’Haya
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1976 Volume 49 Issue 12 Pages 3466-3471

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Abstract

Comments are given upon the approximate self-consistent renormalized RPA(SCrRPA) presented in our previous papar which assumes the correlated ground state wavefunction to be the linear combination of the Hartree-Fock ground state and doubly excited states, in the CI language. The rationalization of the approximate SCrRPA is made from the results computed by the complete SCrRPA, whose recipe is simply made. Finally, a numerical comparison of the several RPA methods is made as to the electronic spectra of four DNA bases by using the CNDO/S method.

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