Constraint density functional calculations for multiplets in a ligand-field applied to Fe-phthalocyanine
Nakamura, Kohji, Kitaoka, Yukie, Akiyama, Toru, Ito, Tomonori, Weinert, M., Freeman, A. J.Volume:
85
Language:
english
Journal:
Physical Review B
DOI:
10.1103/PhysRevB.85.235129
Date:
June, 2012
File:
PDF, 326 KB
english, 2012