Some remarks on multiconfiguration time-dependent Hartree-Fock theory

Recent progress in multiconfiguration time‐dependent Hartree–Fock (MC–TDHF) theory is reviewed. The generality of a formalism first put forward by Moccia [Int. J. Quantum Chemistry 8, 293 (1974)] is emphasized, and illustrative applications are discussed. A calculation of the frequency‐dependent ele...

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Veröffentlicht in:International journal of quantum chemistry 1983-02, Vol.23 (2), p.405-416
1. Verfasser: McWeeny, R.
Format: Artikel
Sprache:eng
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Zusammenfassung:Recent progress in multiconfiguration time‐dependent Hartree–Fock (MC–TDHF) theory is reviewed. The generality of a formalism first put forward by Moccia [Int. J. Quantum Chemistry 8, 293 (1974)] is emphasized, and illustrative applications are discussed. A calculation of the frequency‐dependent electric‐dipole polarizability of the helium atom shows that even with a modest amount of CI, it is possible to achieve an accuracy comparable to that obtained by use of Hylleraas‐type wave functions.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.560230209