| SINGLET | ||
|---|---|---|
|
Appendix A. Keyword Reference |  |
| SINGLET | ||
|---|---|---|
|
|
Appendix A. Keyword Reference | |
SINGLET — RHF singlet state required.
SINGLET
Constrains the spin multiplicity of the primary CI eigenstate to be 1, i.e., a singlet,
corresponding to no unpaired electrons. For
ROOT=n,
the nthe lowest-energy singlet CI eigenstate will be the
primary eigenstate.
 |
Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
|
|
 |
|
| SHOWPARAM |  |
SLOPE |