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Tensors with finite correlation afford very compact tensor network representations.
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M. Topaler and N. Makri, Quantum rates for a double well coupled to a dissipative bath: Accurate path integral results and comparison with approximate theories, J. Chem. Phys. 101
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E. Sim and N. Makri, Filtered propagator functional for iterative dynamics of quantum dissipative systems, Comput. Phys. Commun. 99
1997
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D. S. Sholl and J. C. Tully, A generalized surface hopping method, J. Chem. Phys. 109
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V. Guallar, V. S. Batista, and W. H. Miller, Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers, J. Chem. Phys. 110
1999
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R. Kapral and G. Ciccotti, Mixed quantum-classical dynamics, J. Chem. Phys. 110
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N. Makri, The Linear Response Approximation and Its Lowest Order Corrections: An Influence Functional Approach, J. Phys. Chem. B 103
1999
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M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, The multiconfiguration time-dependent Hartree (MCTDH) method: A highly efficient algorithm for propagating wavepackets, Phys. Rep. 324
2000
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R. Gelabert, X. Giménez, M. Thoss, H. Wang, and W. H. Miller, A Log-Derivative Formulation of the Prefactor for the Semiclassical Herman-Kluk Propagator†, J. Phys. Chem. A 104
2000
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R. Gelabert, X. Giménez, M. Thoss, H. Wang, and W. H. Miller, Semiclassical description of diffraction and its quenching by the forward–backward version of the initial value representation, J. Chem. Phys. 114
2001
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H. Wang and M. Thoss, Multilayer formulation of the multiconfiguration time-dependent Hartree theory, J. Chem. Phys. 119
2003
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Q. Shi and E. Geva, A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system–bath coupling, J. Chem. Phys. 119
2003
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S. R. White and A. E. Feiguin, Real-Time Evolution Using the Density Matrix Renormalization Group, Phys. Rev. Lett. 93
2004
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I. R. Craig and D. E. Manolopoulos, Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics, J. Chem. Phys. 121
2004
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U. Schollwöck, The density-matrix renormalization group, Rev. Mod. Phys. 77
2005
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J. Liu and W. H. Miller, Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions, J. Chem. Phys. 125
2006
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J. Adolphs and T. Renger, How Proteins Trigger Excitation Energy Transfer in the FMO Complex of Green Sulfur Bacteria, Biophys. J. 91
2006
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J. Liu and W. H. Miller, Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation, J. Chem. Phys. 126
2007
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S. Habershon, B. J. Braams, and D. E. Manolopoulos, Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics, J. Chem. Phys. 127
2007
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G. Vidal, Entanglement Renormalization, Phys. Rev. Lett. 99
2007
M. Richter and B. P. Fingerhut, Coarse-grained representation of the quasi adiabatic propagator path integral for the treatment of non-Markovian long-time bath memory, J. Chem. Phys. 146
2017
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A. Bose and N. Makri, Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics, J. Chem. Phys. 147
2017
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H. Ma, Z. Luo, and Y. Yao, The time-dependent density matrix renormalisation group method, Mol. Phys. 116
2018
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J. Ren, Z. Shuai, and G. Kin-Lic Chan, Time-dependent density matrix renormalization group algorithms for nearly exact absorption and fluorescence spectra of molecular aggregates at both zero and finite temperature, Journal of Chemical Theory and Computation 14
2018
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G. Vidal, Class of quantum Many-Body states that can be efficiently simulated, Phys. Rev. Lett. 101
2008
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J. Strümpfer and K. Schulten, Light harvesting complex II B850 excitation dynamics, J. Chem. Phys. 131
2009
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P. Nalbach, J. Eckel, and M. Thorwart, Quantum coherent biomolecular energy transfer with spatially correlated fluctuations, New J. Phys. 12
2010
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C. Olbrich and U. Kleinekathöfer, Time-Dependent Atomistic View on the Electronic Relaxation in Light-Harvesting System II, J. Phys. Chem. B 114
2010
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2010
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M. Rätsep, Z.-L. Cai, J. R. Reimers, and A. Freiberg, Demonstration and interpretation of significant asymmetry in the low-resolution and high-resolution Q y fluorescence and absorption spectra of bacteriochlorophyll a, J. Chem. Phys. 134
2011
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2011
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2018
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L. Kidon, H. Wang, M. Thoss, and E. Rabani, On the memory kernel and the reduced system propagator, J. Chem. Phys. 149
2018
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D. Picconi and I. Burghardt, Open system dynamics using gaussian-based multiconfigurational time-dependent hartree wavefunctions: Application to environment-modulated tunneling, The Journal of Chemical Physics 150
2019
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G. Miao, N. Bellonzi, and J. Subotnik, An extension of the fewest switches surface hopping algorithm to complex Hamiltonians and photophysics in magnetic fields: Berry curvature and “magnetic” forces, J. Chem. Phys. 150
2019
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M. R. Jørgensen and F. A. Pollock, Exploiting the Causal Tensor Network Structure of Quantum Processes to Efficiently Simulate Non-Markovian Path Integrals, Phys. Rev. Lett. 123
2019
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2019
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S. Paeckel, T. Köhler, A. Swoboda, S. R. Manmana, U. Schollwöck, and C. Hubig, Time-evolution methods for matrix-product states, Ann. Phys. (N. Y). 411
2019
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S. Kundu and N. Makri, Modular path integral for discrete systems with non-diagonal couplings, J. Chem. Phys. 151
2019
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F. Wang and N. Makri, Quantum-classical path integral with a harmonic treatment of the back-reaction, J. Chem. Phys. 150
2019
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L. Zhang, M. Chen, X. Wu, H. Wang, W. E, and R. Car, Deep neural network for the dielectric response of insulators, Phys. Rev. B 102
2020
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T. Jiang, W. Li, J. Ren, and Z. Shuai, Finite temperature dynamical density matrix renormalization group for spectroscopy in frequency domain, The Journal of Physical Chemistry Letters 11
2020
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Y. Tanimura, Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (heom), J. Chem. Phys. 153
2020
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T. Ikeda and G. D. Scholes, Generalization of the hierarchical equations of motion theory for efficient calculations with arbitrary correlation functions, J. Chem. Phys. 152
2020
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D. E. Parker, X. Cao, and M. P. Zaletel, Local matrix product operators: Canonical form, compression, and control theory, Phys. Rev. B 102
2020
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A. Bose and N. Makri, All-Mode Quantum-Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics, J. Phys. Chem. B 124
2020
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S. Kundu and N. Makri, Real-Time Path Integral Simulation of Exciton-Vibration Dynamics in Light-Harvesting Bacteriochlorophyll Aggregates, J. Phys. Chem. Lett. 11
2020
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F. D. Maiolo, G. A. Worth, and I. Burghardt, Multi-layer gaussian-based multi-configuration time-dependent hartree (ml-gmctdh) simulations of ultrafast charge separation in a donor–acceptor complex, The Journal of Chemical Physics 154
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