Open AccessCommunication: An efficient analytic gradient theory for approximate spin projection methods
Author(s) -
Hrant P. Hratchian
Publication year - 2013
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4795429
Subject(s) - perturbation theory (quantum mechanics) , density functional theory , energy functional , projection (relational algebra) , symmetry (geometry) , spin (aerodynamics) , scheme (mathematics) , mathematics , statistical physics , computer science , physics , quantum mechanics , mathematical analysis , algorithm , geometry , thermodynamics
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