(Q51626217)
Statements
Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method: Sc, Ti, Fe, Co, and Ni. (English)
1 reference
1 reference
1 reference
1 reference
Marcus Elstner
1 reference
Guishan Zheng
1 reference
Petia Bobadova-Parvanova
1 reference
Djamaladdin G Musaev
1 reference
Rajeev Prabhakar
1 reference
Keiji Morokuma
1 reference
Marcus Lundberg
1 reference
Christof Köhler
1 reference
1 July 2007
1 reference
3
1 reference
4
1 reference
1349-1367
1 reference