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首页> 外文期刊>journal of chemical physics >An approximation to frozen natural orbitals through the use of the Hartreendash;Fock exchange potential
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An approximation to frozen natural orbitals through the use of the Hartreendash;Fock exchange potential

机译：An approximation to frozen natural orbitals through the use of the Hartreendash;Fock exchange potential

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摘要

A modification of a previously defined virtual orbital transformation based on the Hartreendash;Fock exchange potential is shown to yield a set of orbitals which effectively approximate the frozen natural orbital CI convergence properties.

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