Title :
Role of overlap integrals in study of electronic structure of atoms and molecules
Author :
Pashaev, F.G. ; Gasanov, A.G.
Author_Institution :
Baku State Univ., Baku, Azerbaijan
Abstract :
In the work investigated the role of overlap integrals in study of electronic structure by Hartree-Fock-Roothaan and semiempirical Wolsberg-Helmhols methods.
Keywords :
HF calculations; atomic structure; molecular electronic states; Hartree-Fock-Roothaan method; atomic electronic structure; molecular electronic structure; overlap integrals; semiempirical Wolsberg-Helmhols method; molecular orbitals; overlap integrals; quantium mechanical calculations;
Conference_Titel :
Application of Information and Communication Technologies, 2009. AICT 2009. International Conference on
Conference_Location :
Baku
Print_ISBN :
978-1-4244-4739-8
Electronic_ISBN :
978-1-4244-4740-4
DOI :
10.1109/ICAICT.2009.5372514
