Evaluation of the Boys function using analytical relations
[ X ]
Tarih
2006
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The analytical relations for Boys function F-m (x) are presented. These relations are useful in the fast and more accurate calculations of multicenter molecular integrals over Gaussian type orbitals (GTOs). The formulas obtained are numerically stable for all values of m and x.
Açıklama
Anahtar Kelimeler
Boys function, incomplete gamma functions, Gaussian type orbitals, Slater type orbitals, multicenter integrals
Kaynak
Journal of Mathematical Chemistry
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
40
Sayı
2
