Derivation of Unified Analytic Electron Interaction Integrals over
Slater Orbitals for Diatomic Molecules [PDF]
E. V. RothsteinIn previous work, the necessary integrals arising from correlated wavefunctions were expressed in forms suitable for numerical integration. For the evaluation of $r_{12}$ and $1/r_{12}$ integrals an analytic formula is derived. Combinatorial aspects of more than two electron integrals are discussed.View original: http://arxiv.org/abs/1207.5866
No comments:
Post a Comment