Role of overlap integrals in study of electronic structure of atoms and molecules

In the work investigated the role of overlap integrals in study of electronic structure by Hartree-Fock-Roothaan and semiempirical Wolsberg-Helmhols methods.

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Bibliographic Details
Published in2009 International Conference on Application of Information and Communication Technologies pp. 1 - 2
Main Authors Pashaev, F.G., Gasanov, A.G.
Format Conference Proceeding
LanguageEnglish
Published IEEE 01.10.2009
Subjects
molecular orbitals
Orbital calculations
overlap integrals
quantium mechanical calculations
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Summary:In the work investigated the role of overlap integrals in study of electronic structure by Hartree-Fock-Roothaan and semiempirical Wolsberg-Helmhols methods.
ISBN:1424447399
9781424447398
DOI:10.1109/ICAICT.2009.5372514