N-mode quantized anharmonic vibronic Hamiltonians provide a second-quantized framework for DMRG-based quantum dynamics, demonstrated via excited-state simulations of maleimide.
& Shuai, Z.Density Matrix Renormalization Group (DMRG)-Based Approaches in Computational Chemistry(Elsevier, 2022)
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N-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics
N-mode quantized anharmonic vibronic Hamiltonians provide a second-quantized framework for DMRG-based quantum dynamics, demonstrated via excited-state simulations of maleimide.