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Some remarks on multiconfiguration time‐dependent Hartree–Fock theory
Author(s) -
McWeeny R.
Publication year - 1983
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560230209
Subject(s) - polarizability , hartree–fock method , generality , formalism (music) , dipole , quantum , wave function , helium atom , quantum mechanics , atomic physics , chemistry , physics , helium , molecule , psychology , musical , art , visual arts , psychotherapist
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.