Brief Reports

Pramana

, Volume 56, Issue 5, pp 691-696

On the computation of molecular auxiliary functions A n and B n

  • I I GuseinovAffiliated withDepartment of Physics, Onsekiz Mart University Email author 
  • , B A MamedovAffiliated withDepartment of Physics, Onsekiz Mart UniversityDepartment of Physics, Ondokuz Mayis University
  • , M KaraAffiliated withDepartment of Physics, Onsekiz Mart UniversityDepartment of Physics, Ondokuz Mayis University
  • , M OrbayAffiliated withDepartment of Physics, Onsekiz Mart UniversityDepartment of Physics, Ondokuz Mayis University

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Abstract

Molecular auxiliary functions A n (p) and B n (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