Spin-state transition inLaCoO3by variational cluster approximation
نویسندگان
چکیده
منابع مشابه
Variational Transition State Theory
Transition state theory (TST) 1 is the most widely used theory for calculating rates of bimolecular eactions occurring in the gas phase and in condensed phases. TST is also incorporated into the widely used RRKM theory for unimolecular reactions. The popularity of TST is largely due to its simplicity and its usefulness for correlating trends in reaction rates in terms of easily interpreted quan...
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2 The cluster approach 4 2.1 Tiling the lattice into small clusters . . . . . . . . . . . . . . . . . . . . . . . . 4 2.2 Cluster perturbation theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2.3 Green’s function and exact diagonalization . . . . . . . . . . . . . . . . . . . . 5 2.4 Freedom in the CPT construction . . . . . . . . . . . . . . . . . . . . . . . . . 6 2.5 The Ritz...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2010
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.81.035101