Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitals

[ X ]

Tarih

2011

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Springer

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

The new combined formulas have been established for the complex and real rotation-angular functions arising in the evaluation of two-center overlap integrals over arbitrary atomic orbitals in molecular coordinate system. These formulas can be useful in the study of different quantum mechanical problems in both the theory and practice of calculations dealing with atoms, molecules, nuclei and solids when the integer and noninteger n complex and real atomic orbitals basis sets are emploed. This work presented the development of our previous paper (I.I. Guseinov in Phys Rev A 32:1864, 1985).

Açıklama

Anahtar Kelimeler

Atomic orbitals, Overlap integrals, Rotation-angular functions

Kaynak

Journal of Mathematical Chemistry

WoS Q Değeri

Q2

Scopus Q Değeri

Q2

Cilt

49

Sayı

5

Künye