about
Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stressVariance-minimization scheme for optimizing Jastrow factorsPhase Diagram of the Low-Density Two-Dimensional Homogeneous Electron GasQuantum Monte Carlo Study of a Positron in an Electron GasDiffusion quantum Monte Carlo study of three-dimensional Wigner crystalsElectron Emission from Diamondoids: A Diffusion Quantum Monte Carlo StudyQuantum Monte Carlo computations of phase stability, equations of state, and elasticity of high-pressure silica.Spectroscopic data for the LiH molecule from pseudopotential quantum Monte Carlo calculations.Time-dependent quantum Monte Carlo and the stochastic quantization.Dynamic correlations with time-dependent quantum Monte Carlo.Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method.Transcorrelated calculations of homogeneous electron gases.Challenges in modeling materials properties without experimental input.Bilinear diffusion quantum Monte Carlo methods.Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniquesA quantum-quantum Metropolis algorithm.Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressuresLiquid-liquid phase transition in hydrogen by coupled electron-ion Monte Carlo simulationsNanoscale π-π stacked molecules are bound by collective charge fluctuationsUnexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation.Quantum and classical dynamics of reactive scattering of H2 from metal surfaces.Calculating potential energy curves with fixed-node diffusion Monte Carlo: CO and N2.Assessment of electronic structure methods for the determination of the ground spin states of Fe(ii), Fe(iii) and Fe(iv) complexes.Bias cancellation in one-determinant fixed-node diffusion Monte Carlo: Insights from fermionic occupation numbers.Accurate barrier heights using diffusion Monte Carlo.Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states.In silico environmental chemical science: properties and processes from statistical and computational modelling.A real-space stochastic density matrix approach for density functional electronic structure.Application of classical simulations for the computation of vibrational properties of free molecules.Quantum Monte Carlo for large chemical systems: implementing efficient strategies for petascale platforms and beyond.Stochastic many-body perturbation theory for anharmonic molecular vibrations.Choosing a density functional for modeling adsorptive hydrogen storage: reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals.The Hypernetted Chain Equations for Periodic Systems.A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface.New Insight into the Ground State of FePc: A Diffusion Monte Carlo Study.Ground and excited electronic states of azobenzene: a quantum Monte Carlo study.Compact and flexible basis functions for quantum Monte Carlo calculations.Toward accurate reaction energetics for molecular line growth at surface: Quantum Monte Carlo and density functional theory calculations.Types of single particle symmetry breaking in transition metal oxides due to electron correlation.Quantum chemical assessment of the binding energy of CuO+.
P2860
Q21708331-F885F317-7395-4EB8-A977-E44BE0DF6688Q27335359-DF398F69-FCDF-4DA5-8D77-8672B4CB22DCQ27339365-5BB52109-54C3-4F7B-8DF6-1AF7601FADD2Q27344986-B5AA4AFC-36C5-4C23-9A67-57CE3D251947Q27440567-364DAB43-26AE-49C8-982D-D8F9F010E8F9Q27452783-FEBB3E0F-D5EF-47E4-9AFC-DC118E600E5BQ30478579-22909066-3587-4C5C-AD3E-842E7CEF43BBQ31157075-334D7AFD-E88B-4AF6-888B-3F9B07DA0334Q33301728-192BA449-244B-4E37-9047-3BA7BD27D252Q33349033-B988B098-4FAD-4A77-A68C-01BB856FACA2Q33364872-600C3683-9703-441A-8862-B62CEA21712AQ34309049-93E5A409-15F2-449E-9FC9-F4A3E034C123Q34805606-0800F3E6-60ED-426B-B62F-C8CDAD8801C0Q35085269-22EAF5A8-E1D8-4F31-9708-56E32D9438C1Q35670299-7E4F12B6-2689-46D2-AB4F-DB10EFF58C8DQ35734918-44B22E25-8EED-42B3-9F51-47A15E5DEAC8Q35916985-8BB22C66-DFA4-410C-A23F-A04D3C272AE6Q37173211-3C67D4CD-9DAF-4826-B5EF-F93C202B1A0FQ37642440-566330C1-7D2F-43FF-867D-4A14F4FE3E6EQ37679902-75A7E052-99D6-4527-83EB-023B0C0D7FACQ38559418-A2D26C92-E234-4B66-80D8-FA1FEFD0EB9CQ38781797-C2B11044-06D6-4D55-8D0D-505EA0490092Q38796688-9B2EF3EB-5D32-4BA5-BA17-22F21DE0A0A2Q38834234-A2C4D6EC-34C9-404B-9E3D-E7C28972D683Q38847959-044CDD58-3688-48BE-8296-6C6B966696E1Q38894848-91350CEC-E403-4D69-BD73-CAD2EA774130Q38927584-B6262298-5D70-4173-82CD-D59B4379780EQ39007429-810D107A-BBD1-4955-9AD3-6642BF42CB55Q39306732-FCF97764-D1DC-4FAD-9112-F2A65C9C7EB5Q39491666-C25F0017-16D2-4BDF-A084-6739A2AA9C95Q41382895-79200DE4-F1A3-4A0D-8920-E8277E2CCA1AQ41473548-040AFC17-AA77-4B11-9958-62B4A90DF025Q42177290-34FF3733-9FFC-4033-951E-90481E387AF5Q42242351-1421A58A-F0A5-4BA3-921D-59EF382969DFQ42259564-92BF2338-D500-49D9-9198-E1483591724FQ42768654-8BAFAE00-9454-4DC4-8784-F731082A1AA7Q43139308-0548B773-5281-41AB-A368-53D3895B4D9CQ43227996-FCAA143E-D2CE-454C-99AF-F0C08910D094Q43443052-FBE5E36C-0788-460D-8E78-CF1C7D78799AQ43537013-C3303BB3-8460-4268-8946-630C84EBE0FA
P2860
description
2001 nî lūn-bûn
@nan
2001 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Quantum Monte Carlo simulations of solids
@ast
Quantum Monte Carlo simulations of solids
@en
Quantum Monte Carlo simulations of solids
@nl
type
label
Quantum Monte Carlo simulations of solids
@ast
Quantum Monte Carlo simulations of solids
@en
Quantum Monte Carlo simulations of solids
@nl
prefLabel
Quantum Monte Carlo simulations of solids
@ast
Quantum Monte Carlo simulations of solids
@en
Quantum Monte Carlo simulations of solids
@nl
P2093
P356
P1476
Quantum Monte Carlo simulations of solids
@en
P2093
G. Rajagopal
R. J. Needs
W. M. C. Foulkes
P356
10.1103/REVMODPHYS.73.33
P577
2001-01-05T00:00:00Z