Comment on "Calculations of overlap integrals using recurrence-based algorithms"


Guseinov I.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.638, ss.235-236, 2003 (SCI İndekslerine Giren Dergi) identifier

  • Cilt numarası: 638
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1016/s0166-1280(03)00408-1
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.235-236

Özet

Recently published recurrence formulas for the calculation of overlap integrals (E. Oztekin, M. Yavuz, S. Atalay, J. Mol. Struct. (Theochem) 544 (2001) 69) are critically analyzed. It is demonstrated that the recurrence relations presented in this work are not original and they can easily be derived by means of a simple algebra from the formulas of our published paper (I.I. Guseinov, B.A. Mamedov, J. Mol. Struct. (Theochem) 465 (2001) 1). (C) 2003 Elsevier B.V. All rights reserved.