Pramana

, Volume 56, Issue 5, pp 691–696

On the computation of molecular auxiliary functions An and Bn

Authors

    • Department of PhysicsOnsekiz Mart University
  • B A Mamedov
    • Department of PhysicsOnsekiz Mart University
    • Department of PhysicsOndokuz Mayis University
  • M Kara
    • Department of PhysicsOnsekiz Mart University
    • Department of PhysicsOndokuz Mayis University
  • M Orbay
    • Department of PhysicsOnsekiz Mart University
    • Department of PhysicsOndokuz Mayis University
Brief Reports

DOI: 10.1007/s12043-001-0093-x

Cite this article as:
Guseinov, I.I., Mamedov, B.A., Kara, M. et al. Pramana - J Phys (2001) 56: 691. doi:10.1007/s12043-001-0093-x

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 functionsoverlap integrals

PACS Nos

02.30.Gp02.90.+p31.20.Ej

Copyright information

© Indian Academy of Sciences 2001