Selection of active spaces for multiconfigurational wavefunctions.
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| Title: | Selection of active spaces for multiconfigurational wavefunctions. |
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| Authors: | Keller, Sebastian1, Boguslawski, Katharina1,2, Janowski, Tomasz3, Reiher, Markus1 markus.reiher@phys.chem.ethz.ch, Pulay, Peter3 pulay@uark.edu |
| Source: | Journal of Chemical Physics. 2015, Vol. 142 Issue 24, p1-11. 11p. 18 Graphs. |
| Database: | Academic Search Ultimate |
| ISSN: | 00219606 |
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| DOI: | 10.1063/1.4922352 |
