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A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state |
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| Authors: | Celestino Angeli |
| Institution: | Dipartimento di Chimica , Università di Ferrara , Via Borsari 46, I-44100 Ferrara, Italy |
| Abstract: | |
| Keywords: | iron dimer (Fe2) multireference perturbation theory NEVPT transition metal dimers |