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A numerical comparison of the random-phase approximations of excited states of DNA bases using the CNDO/S method

✍ Scribed by Hirotoshi Ito; Y.J. l'Haya

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
438 KB
Volume
38
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Rcccivcd 7 Augus: 1975

A numcricat comparison of scmi-cmpi.ric~~t I-WA's is simply mnde of the electronic spectra of four DNA bases by using the CNlXl/S method, which leads to stable towest triplet utcrgies, even in the ordinary KPA. The re~~ti~nsiiip "3w(rIiPA) > "3W(l.DA) > IT3 w(nRPW hoIrk for most cncrgy icvcls, although the qualitative changes in the results cannot bc seen. A proof of ~ch a rcl:~tIonship is given for the RPA equation of II single particle --hole pair configuration.

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