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| | Hv review.sm.copy |
 | | However, the initial Hv studies consider systems for which the valence space may readily be taken as identical to that of the corresponding semiempirical approach. |
 | | However, it is rather unrealistic to expect the Hv method to provide a meaningful description of the high lying states in large valence spaces, and this suggests limiting the orbital optimization to a group of lower lying states, which, in general are the states of interest in both ab initio and semiempirical applications. |
 | | The Hv method requires a reasonable energy gap both between the core and valence orbitals and between the valence and excited orbitals, as well as not too large a spread in valence orbital energies. |
| home.uchicago.edu /~freed/Hvreview.html (11512 words) |
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