Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction.
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| Title: | Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction. |
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| Authors: | Granovsky, Alexander A.1 alex.granovsky@gmail.com |
| Source: | Journal of Chemical Physics. 2015, Vol. 143 Issue 23, p1-4. 4p. |
| Database: | Academic Search Ultimate |
| ISSN: | 00219606 |
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| DOI: | 10.1063/1.4938169 |
