A multireference perturbation theory study on the Fe2 molecule: In quest of the ground state

Molecular Physics

Volumn 109, Issue 11, 2011, Pages 1503-1509

  Angeli, Celestino ^a   Cimiraglia, Renzo ^a  

^a UNIVERSITY OF FERRARA   (Italy)

Author keywords

iron dimer (Fe2); multireference perturbation theory; NEVPT; transition metal dimers

Indexed keywords

FE ATOMS; HIGH-LEVEL AB INITIO CALCULATIONS; INTERNUCLEAR DISTANCES; LOWER ENERGIES; MULTI REFERENCE; NEVPT; PERTURBATION THEORY; SPECTROSCOPIC CONSTANTS; THIRD ORDER; TRANSITION METAL DIMERS; VAN DER WAALS INTERACTIONS;

CALCULATIONS; DIMERS; EXCITED STATES; GROUND STATE; IRON; RHENIUM; VAN DER WAALS FORCES;

PERTURBATION TECHNIQUES;

EID: 79958143858     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.566586     Document Type: Article

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