Modification of virtual orbitals

1 June 1979

journal article
research article
Published by Wiley in International Journal of Quantum Chemistry

Vol. 15 (6) , 589-600
https://doi.org/10.1002/qua.560150605

Abstract

The utility of modifying the virtual orbitals of the Fock operator by introducition of an additional potential is discussed. A particularly convenient form for computational implementations is obtained, and improved methods for the practical solution of the secular problem are recommended.

Keywords

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