Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
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Spectroscopic data for the LiH molecule from pseudopotential quantum Monte Carlo calculations.Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H2 + Cu(111).Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene.Nanoscale π-π stacked molecules are bound by collective charge fluctuationsA comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface.Assessment of density functional theory for iron(II) molecules across the spin-crossover transition.Quantum Monte Carlo study of porphyrin transition metal complexes.Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo.The transition to the metallic state in low density hydrogen.Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method.High-pressure hydrogen sulfide by diffusion quantum Monte Carlo.Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations.Fast and accurate quantum Monte Carlo for molecular crystals.Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide.Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations.Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo.Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations.
P2860
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P2860
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
description
2005 nî lūn-bûn
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2005年の論文
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2005年学术文章
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2005年学术文章
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name
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
@en
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
@nl
type
label
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
@en
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
@nl
prefLabel
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
@en
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
@nl
P2860
P356
P1476
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior.
@en
P2093
P2860
P356
10.1063/1.1829049
P407
P577
2005-01-01T00:00:00Z