Physics – Mathematical Physics
Scientific paper
2009-03-30
Physics
Mathematical Physics
8 pages
Scientific paper
Using one-range addition theorems for noninteger n Slater type orbitals and Coulomb-Yukawa like correlated interaction potentials with noninteger indices obtained by the author with the help of complete orthonormal sets of exponential type orbitals, the series of expansion formulas are established for the potential produced by molecule, and the potential energy of interaction between molecules through the radius vectors of nuclei of molecules, and the linear combination coefficients of molecular orbitals. The formulae obtained are useful especially for the study of interaction between atomic-molecular systems containing any number of closed and open shells when the Hartree-Fock-Roothaan and explicitly correlated methods are employed. The relationships obtained are valid for the arbitrary values of indices and screening constants of orbitals and correlated interaction potentials.
Guseinov Israfil I.
No associations
LandOfFree
Evaluation of potential energy of interaction between molecules using one-range addition theorems for Slater type orbitals and Coulomb-Yukawa like correlated interaction potentials does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Evaluation of potential energy of interaction between molecules using one-range addition theorems for Slater type orbitals and Coulomb-Yukawa like correlated interaction potentials, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Evaluation of potential energy of interaction between molecules using one-range addition theorems for Slater type orbitals and Coulomb-Yukawa like correlated interaction potentials will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-424579