Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in Molecules.
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DOI: 10.1021/acs.jctc.2c01207
Abstract: We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians and show applications in molecular systems. Transcorrelation (TC) accelerates… read more here.
Keywords: density matrix; excited states; ground; ground excited ... See more keywords