Some remarks on multiconfiguration time-dependent Hartree–Fock theory |
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Authors: | R. McWeeny |
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Abstract: | 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. |
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