Addition and expansion theorems for complete orthonormal sets of exponential-type orbitals in coordinate and momentum representations


Guseinov I.

JOURNAL OF MOLECULAR MODELING, cilt.9, ss.135-141, 2003 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 9 Konu: 3
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1007/s00894-002-0109-6
  • Dergi Adı: JOURNAL OF MOLECULAR MODELING
  • Sayfa Sayıları: ss.135-141

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.