Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitals

Details Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitals Unified treatment of complex and real rotation-angular functions for two-center overlap integrals over arbitrary atomic orbitals

2010-11-02

arxiv.org/abs/1011.0617v1

Physics

Chemical Physics

3 pages

Scientific paper

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).

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