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...
Gespeichert in:
Veröffentlicht in: | International journal of quantum chemistry 1983-02, Vol.23 (2), p.405-416 |
---|---|
1. Verfasser: | |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
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 |