Perturbed Hartree–Fock Theory. I. Diagrammatic Double‐Perturbation Analysis

摘要: The coupled Hartree–Fock scheme, for calculating atomic and molecular properties which are second order in some perturbing field, is studied with the help of a double‐perturbation expansion diagrammatic techniques. expansion, external field as one perturbation (H(1)) difference between true electron‐repulsion potential other (V), compared an iterative solution set equations first‐order perturbed orbitals. term that H(1) zeroth V shown to be Dalgarno “uncoupled” second‐order energy. (in H(1)) energy expression includes all terms first orders V, up infinite order. It how separate diagrams contributing CPHF from those do not; particular, composed so...