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31 THE FULL CI PROGRAM
This module is the determinant full CI program, as described in
P.J. Knowles and N.C. Handy, Chem. Phys. Letters 111 (1984) 315,
P.J. Knowles and N.C. Handy, Comp. Phys. Commun. 54 (1989) 75.
Published work resulting from the use of this program should cite
these references.
The program in normal use finds the lowest eigenvector of the complete
CI hamiltonian matrix; more sophisticated use is possible, but not
documented here. The program is interfaced to free standing versions
such as supplied in the CPC program library by use of the DUMP option.
The program is called with the command FCI.
Subsections
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Sep 24, 2008