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Haobin Wang
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Multilayer formulation of the multiconfiguration time-dependent Hartree theory
H Wang, M Thoss
The Journal of chemical physics 119 (3), 1289-1299, 2003
8192003
A general chemical dynamics computer program
WL Hase, RJ Duchovic, X Hu, A Komornicki, KF Lim, D Lu, GH Peslherbe, ...
Quantum Chem. Program Exch. Bull 16, 671, 1996
6921996
Semiclassical approximations for the calculation of thermal rate constants for chemical reactions in complex molecular systems
H Wang, X Sun, WH Miller
The Journal of Chemical Physics 108 (23), 9726-9736, 1998
4621998
Semiclassical theory of electronically nonadiabatic dynamics: Results of a linearized approximation to the initial value representation
X Sun, H Wang, WH Miller
The Journal of chemical physics 109 (17), 7064-7074, 1998
4101998
Monte Carlo sampling for classical trajectory simulations
GH Peslherbe, H Wang, WL Hase
Advances in Chemical Physics: Monte Carlo Methods in Chemical Physics 105…, 1999
3211999
Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density
M Thoss, H Wang, WH Miller
The Journal of Chemical Physics 115 (7), 2991-3005, 2001
2832001
Nuclear condensates of the Polycomb protein chromobox 2 (CBX2) assemble through phase separation
R Tatavosian, S Kent, K Brown, T Yao, HN Duc, TN Huynh, CY Zhen, ...
Journal of Biological Chemistry 294 (5), 1451-1463, 2019
2252019
Systematic convergence in the dynamical hybrid approach for complex systems: A numerically exact methodology
H Wang, M Thoss, WH Miller
The Journal of Chemical Physics 115 (7), 2979-2990, 2001
1982001
Thermodynamics of hydrogen atom transfer to a high-valent iron imido complex
I Nieto, F Ding, RP Bontchev, H Wang, JM Smith
Journal of the American Chemical Society 130 (9), 2716-2717, 2008
1952008
Semiclassical study of electronically nonadiabatic dynamics in the condensed-phase: Spin-boson problem with Debye spectral density
H Wang, X Song, D Chandler, WH Miller
The Journal of chemical physics 110 (10), 4828-4840, 1999
1931999
Numerically exact quantum dynamics for indistinguishable particles: The multilayer multiconfiguration time-dependent Hartree theory in second quantization representation
H Wang, M Thoss
The Journal of chemical physics 131 (2), 024114, 2009
1872009
Quantum Dynamics of Photoinduced Electron-Transfer Reactions in Dye− Semiconductor Systems: First-Principles Description and Application to Coumarin 343− TiO2
I Kondov, M Čžek, C Benesch, H Wang, M Thoss
The Journal of Physical Chemistry C 111 (32), 11970-11981, 2007
1822007
Multilayer multiconfiguration time-dependent Hartree theory
H Wang
The Journal of Physical Chemistry A 119 (29), 7951-7965, 2015
1812015
Semiclassical description of molecular dynamics based on initial-value representation methods
M Thoss, H Wang
Annu. Rev. Phys. Chem. 55, 299-332, 2004
1802004
Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory
D Egorova, M Thoss, W Domcke, H Wang
The Journal of chemical physics 119 (5), 2761-2773, 2003
1722003
Generalized forward–backward initial value representation for the calculation of correlation functions in complex systems
M Thoss, H Wang, WH Miller
The Journal of Chemical Physics 114 (21), 9220-9235, 2001
1722001
Forward–backward initial value representation for the calculation of thermal rate constants for reactions in complex molecular systems
H Wang, M Thoss, WH Miller
The Journal of Chemical Physics 112 (1), 47-55, 2000
1512000
On the semiclassical description of quantum coherence in thermal rate constants
X Sun, H Wang, WH Miller
The Journal of chemical physics 109 (11), 4190-4200, 1998
1511998
From coherent motion to localization: dynamics of the spin-boson model at zero temperature
H Wang, M Thoss
New Journal of Physics 10 (11), 115005, 2008
1482008
First-Principles Calculation of pKa Values for Organic Acids in Nonaqueous Solution
F Ding, JM Smith, H Wang
The Journal of organic chemistry 74 (7), 2679-2691, 2009
1452009
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Articles 1–20