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

摘要

The new combined formulas have been established for the complex and realrotation-angular functions arising in the evaluation of two-center overlapintegrals over arbitrary atomic orbitals in molecular coordinate system. Theseformulas can be useful in the study of different quantum mechanical problems inboth the theory and practice of calculations dealing with atoms, molecules,nuclei and solids when the integer and noninteger n complex and real atomicorbitals basis sets are emploed. This work presented the development of ourprevious paper (I.I. Guseinov, Phys. Rev. A, 32 (1985) 1864).