13 citations · 28 across the 6 of their papers we have counts for
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physics.chem-ph2023
Unified construction of relativistic Hamiltonians
Wenjian Liu
It is shown that four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock (HF) equations can be implemented in an unified manner, by…
physics.chem-ph2023★ 4 cited
On Committor Functions in Milestoning
Xiaojun Ji, Ru Wang, Hao Wang +1
As an optimal one-dimensional reaction coordinate, the committor function not only describes the probability of a trajectory initiated at a phase space point first reaching the pro…
physics.chem-ph2023★ 10 cited
Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics
Ru Wang, Hao Wang, Wenjian Liu +1
Milestoning is an efficient method for rare event kinetics calculation using short trajectory parallelization. Mean first passage time (MFPT) is the key kinetic output of Milestoni…