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完全活性空間
Wikipedia definition
1. Complete active spaceIn quantum chemistry, a complete active space is a type of classification of molecular orbitals. Spatial orbitals are classified as belonging to three classes: core, always hold two electrons active, partially occupied orbitals virtual, always hold zero electrons This classification allows to develop a set of Slater determinants for the description of the wavefunction as a linear combination of these determinants.
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