Addition and expansion theorems for complete orthonormal sets of exponential-type orbitals in coordinate and momentum representations
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Tarih
2003
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer-Verlag
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Analytical properties of new complete orthonormal sets of Psi(alpha) exponential-type orbitals (Psi(alpha)-ETOs where alpha=1, 0, -1, -2, ...), introduced by the author as finite linear combinations of Slater-type orbitals (STOs), are studied. Addition and expansion theorems for Psi(alpha)-ETOs are obtained in both coordinate and momentum representations. Using expressions of Psi(alpha)-ETOs in terms of STOs, the new methods are suggested to calculate multicenter multielectron integrals over STOs.
Açıklama
Anahtar Kelimeler
exponential-type orbitals, Slater-type orbitals, multicenter integrals, Fourier transform method
Kaynak
Journal of Molecular Modeling
WoS Q Değeri
Q1
Scopus Q Değeri
Q2
Cilt
9
Sayı
3
