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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
CIDIP — Calculate charges and dipole moments for CI eigenstates.
CIDIP
Calculate atomic Mulliken charges and dipole moments for all primary and secondary CI eigenstates and print results to the Ampac output file. See Chapter 11, Configuration Interaction for a more complete discussion of Ampac’s CI capability.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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CIGAP |