Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions.
about
Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions.Quantum and classical dynamics of reactive scattering of H2 from metal surfaces.Accurate barrier heights using diffusion Monte Carlo.Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method.Multi-level quantum Monte Carlo wave functions for complex reactions: the decomposition of α-hydroxy-dimethylnitrosamine.
P2860
Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions.
description
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name
Barrier Heights in Quantum Mon ...... d-Valence-Bond Wave Functions.
@en
type
label
Barrier Heights in Quantum Mon ...... d-Valence-Bond Wave Functions.
@en
prefLabel
Barrier Heights in Quantum Mon ...... d-Valence-Bond Wave Functions.
@en
P356
P1476
Barrier Heights in Quantum Mon ...... ed-Valence-Bond Wave Functions
@en
P2093
Claudia Filippi
P304
P356
10.1021/CT400395U
P577
2013-08-02T00:00:00Z