Reduced density matrix hybrid approach: an efficient and accurate method for adiabatic and non-adiabatic quantum dynamics.
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Timothy C. Berkelbach | Thomas E Markland | David R Reichman | D. Reichman | Timothy C Berkelbach | T. Markland
[1] W. Miller. Electronically nonadiabatic dynamics via semiclassical initial value methods. , 2009, The journal of physical chemistry. A.
[2] Qiang Shi,et al. A relationship between semiclassical and centroid correlation functions , 2003 .
[3] A. Leggett,et al. Dynamics of the dissipative two-state system , 1987 .
[4] N. Makri,et al. Tensor propagator for iterative quantum time evolution of reduced density matrices. II. Numerical methodology , 1995 .
[5] Gerhard Stock,et al. A semiclassical self‐consistent‐field approach to dissipative dynamics: The spin–boson problem , 1995 .
[6] Raymond Kapral,et al. Quantum Dynamics in Almost Classical Environments , 2009 .
[7] R. Friesner,et al. Reduced dynamics in spin-boson models: A method for both slow and fast bath , 2000 .
[8] M. Beck,et al. The multiconfiguration time-dependent Hartree (MCTDH) method: A highly efficient algorithm for propa , 1999 .
[9] M. Thoss,et al. Semiclassical Description of Nonadiabatic Quantum Dynamics , 1997 .
[10] D. Coker,et al. LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism. , 2005, The Journal of chemical physics.
[11] Richard A. Friesner,et al. Efficient memory equation algorithm for reduced dynamics in spin-boson models , 1999 .
[12] J. Tully. Molecular dynamics with electronic transitions , 1990 .
[13] N. Makri. Improved Feynman propagators on a grid and non-adiabatic corrections within the path integral framework , 1992 .
[14] Mak,et al. Low-temperature dynamical simulation of spin-boson systems. , 1994, Physical review. B, Condensed matter.
[15] William H. Miller,et al. Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density , 2001 .
[16] Eunji Sim,et al. Filtered propagator functional for iterative dynamics of quantum dissipative systems , 1997 .
[17] Raymond Kapral,et al. Progress in the theory of mixed quantum-classical dynamics. , 2006, Annual review of physical chemistry.
[18] P. Rossky,et al. Practical evaluation of condensed phase quantum correlation functions: A Feynman–Kleinert variational linearized path integral method , 2003 .
[19] Chandler,et al. Coherent-incoherent transition and relaxation in condensed-phase tunneling systems. , 1991, Physical review. A, Atomic, molecular, and optical physics.
[20] P. Pechukas,et al. Time-Dependent Semiclassical Scattering Theory. II. Atomic Collisions , 1969 .
[21] F. Bloch,et al. Generalized Theory of Relaxation , 1957 .
[22] U. Manthe,et al. Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl , 1992 .
[23] U. Manthe,et al. The multi-configurational time-dependent Hartree approach , 1990 .
[24] Chandler,et al. Solving the sign problem in quantum Monte Carlo dynamics. , 1990, Physical review. A, Atomic, molecular, and optical physics.
[25] W. Miller,et al. A classical analog for electronic degrees of freedom in nonadiabatic collision processes , 1979 .
[26] G. Stock,et al. Flow of zero-point energy and exploration of phase space in classical simulations of quantum relaxation dynamics , 1999 .
[27] A. G. Redfield,et al. The Theory of Relaxation Processes , 1965 .
[28] Haobin Wang,et al. Dynamics of electron transfer reactions in the presence of mode mixing: comparison of a generalized master equation approach with the numerically exact simulation. , 2009, The Journal of chemical physics.
[29] T. Főrster,et al. 10th Spiers Memorial Lecture. Transfer mechanisms of electronic excitation , 1959 .
[30] N. Makri,et al. TENSOR PROPAGATOR FOR ITERATIVE QUANTUM TIME EVOLUTION OF REDUCED DENSITY MATRICES. I: THEORY , 1995 .
[31] Gerhard Stock,et al. Mapping approach to the semiclassical description of nonadiabatic quantum dynamics , 1999 .
[32] Haobin Wang,et al. Multilayer formulation of the multiconfiguration time-dependent Hartree theory , 2003 .
[33] Nancy Makri,et al. Path integrals for dissipative systems by tensor multiplication. Condensed phase quantum dynamics for arbitrarily long time , 1994 .
[34] D. Coker,et al. Iterative linearized approach to nonadiabatic dynamics. , 2008, The Journal of chemical physics.
[35] William H. Miller,et al. The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations , 2001 .
[36] G. Stock,et al. Flow of zero-point energy and exploration of phase space in classical simulations of quantum relaxation dynamics. II. Application to nonadiabatic processes , 1999 .
[37] David R. Reichman,et al. Classical mapping approaches for nonadiabatic dynamics: Short time analysis , 2001 .
[38] William H. Miller,et al. Systematic convergence in the dynamical hybrid approach for complex systems: A numerically exact methodology , 2001 .