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20.2.1 Occupied orbitals
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20 THE CI PROGRAM
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20.1 Introduction
20.2 Specifying the wavefunction
Subsections
20.2.1 Occupied orbitals
20.2.2 Frozen-core orbitals
20.2.3 Closed-shell orbitals
20.2.4 Defining the orbitals
20.2.5 Defining the state symmetry
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000