Construct · 1 fields · 1 citations

complete active space self-consistent field: a standalone construct

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Computational chemistry

a multiconfigurational method that optimizes orbitals together with a full configuration expansion inside a chosen active space of orbitals and electrons.

In computational chemistry, complete active space self-consistent field refers to a multiconfigurational method that optimizes orbitals together with a full configuration expansion inside a chosen active space of orbitals and electrons. This meaning comes from Roos (1980) in Chemical Physics.[1]

Unit
Recovery means
Measured by

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Nearby constructs

configuration4 fields · 6 citationsjingle · one word, four constructs expansion4 fields · 4 citationsjingle · one word, four expansions field3 fields · 5 citationsjingle · one word, three constructs

References

Roos, B. O., Taylor, P. R., & Sigbahn, P. E. M. (1980). A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach. Chemical Physics, 48(2), 157-173. https://doi.org/10.1016/0301-0104(80)80045-0

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