## An cltension of the time-dependent Hartree-Focii approximation to employ a multimnti~ur~ttin Ihrlree-Fock state as reference state has been devefoped-Preliminary multicontigxation time-dependent Hartree-Fock calculations wirh the round state of the Be atom using the configurations Is' and 7~' s
Time-dependent Hartree-Fock theory and its multiconfiguration generalization
✍ Scribed by R. McWeeny
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 688 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0022-2860
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📜 SIMILAR VOLUMES
The time dependent Hartree-Pock (TDHF) equations for ;i lithium atom in the continuum are simplified to yield an equation for the valence electron coupled to a pair of TDHF equations for the core. The analysis of Feshbach is applied to derive expressions for the locations, widths, and profile indice
An expression ior the transition matrix element between excited states is given in terms of the solutions to the time-dependent Ha-tree-Fock eigenvalue ditierendal equations. Some dipc4e oscillator saengths and transirioo moments are evaluated for members of the helium isoelectronic sequence.
## Abstract The time‐dependent generalized unrestricted Hartree–Fock (TDGUHF) method combined with a two‐component quasi‐relativistic Hamiltonian generated from the Douglas–Kroll–Hess (DKH) transformation was developed to calculate frequency‐dependent molecular magnetizabilities, which are the line