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Diradicals and Diradicaloids in Natural Orbital Functional Theory |
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| Authors: | Prof. Dr. Xabier Lopez Dr. Fernando Ruipérez Prof. Dr. Mario Piris Dr. Jon M. Matxain Prof. Dr. Jesus M. Ugalde |
| Affiliation: | 1. Kimika Fakultatea, Euskal Herriko Unibertsitatea and Donostia International Physics Center (DIPC), P.K. 1072, 20080 Donostia, Euskadi (Spain), Fax: (+34)?943‐01527;2. IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain) |
| Abstract: | |
| Keywords: | ab initio calculations computational chemistry correlation energies electronic structure radicals |