Use of lined-up auxiliary functions in the evaluation of overlap integrals over integer and non-integer n Slater type orbitals
Küçük Resim Yok
Tarih
2019
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
A combined theory for the overlap integrals of integer and non-integer n chi-Slater type orbitals (chi-ISTO and chi-NISTO) is presented. This approach is based on the use of lined-up auxiliary functions introduced by one of the authors. The suggested theory guarantees a highly accurate calculation of the overlap integrals for the arbitrary values of quantum numbers and locations of orbitals.
Açıklama
Anahtar Kelimeler
Slater Type Orbitals, Overlap Integrals, Auxiliary Functions, Multielectron Molecular Integrals, Multicenter Integrals, Quantum-Mechanics, B-N, Expansion, 2-Center, Coulomb
Kaynak
Results In Physics
WoS Q Değeri
Q1
Scopus Q Değeri
Q2
Cilt
12
