On the computation of molecular auxiliary functions 𝐴𝑛 and 𝐵𝑛

Pramana

M Kara²  B A Mamedov²  I I Guseinov1 2¹  M Orbay² 

[1] Department of Physics, Onsekiz Mart University, Çanakkale, Turkey$$;Department of Physics, Ondokuz Mayis University, Amasya, Turkey$$

关键词: Auxiliary functions;    overlap integrals.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

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.

【 授权许可】

Unknown