Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule.
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Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics.Accurate barrier heights using diffusion Monte Carlo.Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy.Properties of reactive oxygen species by quantum Monte Carlo.Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities.Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.Performance of quantum Monte Carlo for calculating molecular bond lengths.Accelerating ab initio Molecular Dynamics and Probing the Weak Dispersive Forces in Dense Liquid Hydrogen.Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo.Distinct metallization and atomization transitions in dense liquid hydrogen.
P2860
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P2860
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Molecular Properties by Quantu ...... sis Set in the Water Molecule.
@en
type
label
Molecular Properties by Quantu ...... sis Set in the Water Molecule.
@en
prefLabel
Molecular Properties by Quantu ...... sis Set in the Water Molecule.
@en
P2093
P2860
P50
P356
P1476
Molecular Properties by Quantu ...... sis Set in the Water Molecule.
@en
P2093
Andrea Zen
Sandro Sorella
P2860
P304
P356
10.1021/CT400382M
P577
2013-10-01T00:00:00Z