Pramana

, Volume 56, Issue 5, pp 691–696 | Cite as

On the computation of molecular auxiliary functions An and Bn

Brief Reports

Abstract

Molecular auxiliary functions An(p) and Bn(pt), arising in the Hartree-Fock-Roothaan (HFR) approximation for molecules, Ewald’s crystal lattice theory, electromagnetic stopping theory, and other approximate methods, are evaluated and analysed in the range of 17≤n≤60 and 25≤pt≤60.

Keywords

Auxiliary functions overlap integrals 

PACS Nos

02.30.Gp 02.90.+p 31.20.Ej 

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Copyright information

© Indian Academy of Sciences 2001

Authors and Affiliations

  • I I Guseinov
    • 1
  • B A Mamedov
    • 1
    • 2
  • M Kara
    • 1
    • 2
  • M Orbay
    • 1
    • 2
  1. 1.Department of PhysicsOnsekiz Mart UniversityÇanakkaleTurkey
  2. 2.Department of PhysicsOndokuz Mayis UniversityAmasyaTurkey

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