2008
DOI: 10.1103/physrevb.78.054408
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Fully symmetrized valence-bond based technique for solving exchange Hamiltonians of molecular magnets

Abstract: Generally, the first step in modeling molecular magnets involves obtaining the lowlying eigenstates of a Heisenberg exchange Hamiltonian which conserves total spin and belongs usually to a non-Abelian point group. In quantum chemistry, it has been a long standing problem to target a state which has definite total spin and also belongs to a definite irreducible representation of the point group. Many attempts have been made over years, but unfortunately these have not resulted in methods that are easy to implem… Show more

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Cited by 20 publications
(42 citation statements)
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“…The N 2 BPS as well as non-BPS extremal black holes under certain condition share the common feature that the moduli near the horizon are stabilized due to the attractor mechanism [7,15]. Recently various aspects on the non-BPS black holes were studied, see [16] and references therein.…”
Section: Introductionmentioning
confidence: 99%
“…The N 2 BPS as well as non-BPS extremal black holes under certain condition share the common feature that the moduli near the horizon are stabilized due to the attractor mechanism [7,15]. Recently various aspects on the non-BPS black holes were studied, see [16] and references therein.…”
Section: Introductionmentioning
confidence: 99%
“…9 Firstly, we need to construct the C matrix, whose ith row contains the coefficients of the constant M S functions appearing in the ith VB basis function. This is a pretty fast step as the constant M S states are an ordered sequence of integers and a VB state with n lines is a linear combination of 2n constant M S functions.…”
Section: Hybrid Methods Based On Vb Basis and Constant Ms Basismentioning
confidence: 99%
“…This symmetry can break the M S = 0 space into even and odd total spin subspaces. 9 Since in most cases, the lowest excited state usually has a spin which is one different from that of the ground state, this symmetry makes it easy to obtain the spin gaps accurately.…”
Section: Solving Exchange Hamiltonianmentioning
confidence: 99%
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