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21.2.1 Occupied orbitals
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21 THE CI PROGRAM
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21.1 Introduction
21.2 Specifying the wavefunction
Subsections
21.2.1 Occupied orbitals
21.2.2 Frozen-core orbitals
21.2.3 Closed-shell orbitals
21.2.4 Defining the orbitals
21.2.5 Defining the state symmetry
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002