Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitals
Chemical Physics
2013-02-12 v2
Abstract
The new combined formulas have been established for the complex and real rotation-angular functions arising in the evaluation of two-center overlap integrals over arbitrary atomic orbitals in molecular coordinate system. These formulas can be useful in the study of different quantum mechanical problems in both the theory and practice of calculations dealing with atoms, molecules, nuclei and solids when the integer and noninteger n complex and real atomic orbitals basis sets are emploed. This work presented the development of our previous paper (I.I. Guseinov, Phys. Rev. A, 32 (1985) 1864).
Keywords
Cite
@article{arxiv.1011.0617,
title = {Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitals},
author = {I. I. Guseinov},
journal= {arXiv preprint arXiv:1011.0617},
year = {2013}
}
Comments
This paper has been published Journal of Mathematical Chemistry