Spin and orbital ordering in CaMnO3 and LaMnO3: UHF calculations and the Goodenough model

Computational Materials Science

Volumn 17, Issue 2-4, 2000, Pages 445-449

  Nicastro, M ^a   Kuzmin, M ^a   Patterson, C H ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

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[No Author keywords available]

Indexed keywords

EID: 0009696036     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(00)00066-5     Document Type: Article

References (17)

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17. The band structure code used in this work [11] allows initial guesses to be set up with particular spin and orbital configurations which converge to the ground state or a specifically selected low-lying excited state.