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The Journal of Chemical Physics|August 3, 2017
Path lumping: An efficient algorithm to identify metastable path channels for conformational dynamics of multi-body systemsLuming Meng, Fu Kit Sheong, Xiangze Zeng, et al.
The Journal of Chemical Physics|August 3, 2017
Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistryAnupam Bera, Jayanta Ghosh, Atanu Bhattacharya
The Journal of Chemical Physics|August 3, 2017
Efficient orientational averaging of nonlinear optical signals in multi-chromophore systemsMaxim F Gelin, Raffaele Borrelli, Wolfgang Domcke
The Journal of Chemical Physics|July 9, 2016
Theory of optical transitions in π-conjugated macrocyclesMax Marcus, Jaymee Coonjobeeharry, William Barford
The Journal of Chemical Physics|July 9, 2016
On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamicsHsing-Ta Chen, Timothy C Berkelbach, David R Reichman
The Journal of Chemical Physics|July 9, 2016
Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational statesQin Qiao, Hou-Dao Zhang, Xuhui Huang
The Journal of Chemical Physics|July 9, 2016
Mixed semiclassical-classical propagators for the Wigner phase space representationShin-Ichi Koda
The Journal of Chemical Physics|July 9, 2016
An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stabilityNicole Bellonzi, Amber Jain, Joseph E Subotnik
The Journal of Chemical Physics|July 9, 2016
Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock methodErik Lötstedt, Tsuyoshi Kato, Kaoru Yamanouchi
The Journal of Chemical Physics|July 9, 2016
High spin-filter efficiency and Seebeck effect through spin-crossover iron-benzene complexQiang Yan, Liping Zhou, Jue-Fei Cheng, et al.
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