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Density matrix renormalizationgroup calculations quantitatively reproduce and help understand the observed commensurate and incommensurate excitations.
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With the density matrix renormalizationgroup we also compute near-exact vertical excitation energies at the equilibrium geometry.
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The density matrix renormalizationgroup is a method that is useful for describing molecules that have strongly correlated electrons.
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We describe in detail our high-performance density matrix renormalizationgroup (DMRG) algorithm for solving the electronic Schrodinger equation.
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We present a complete, group-theoretic classification of such transitions into seven distinct cases (including cases with nematic order) and analyze fluctuations by the renormalizationgroup.