Optimized trial wave functions for quantum Monte Carlo calculations
about
Variance-minimization scheme for optimizing Jastrow factorsDiffusion quantum Monte Carlo study of three-dimensional Wigner crystalsElectron pair localization function: a practical tool to visualize electron localization in molecules from quantum Monte Carlo data.Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method.Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H2 + Cu(111).Calculating potential energy curves with fixed-node diffusion Monte Carlo: CO and N2.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.Quantum chemical assessment of the binding energy of CuO+.Quantum Monte Carlo calculations of the dimerization energy of borane.Excitations in photoactive molecules from quantum Monte Carlo.Correlated geminal wave function for molecules: an efficient resonating valence bond approach.On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions.Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functions.Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo.Zori 1.0: a parallel quantum Monte Carlo electronic structure package.Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo.A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein.Weak intermolecular interactions calculated with diffusion Monte Carlo.Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions.Systematic study of finite-size effects in quantum Monte Carlo calculations of real metallic systems.σ-SCF: A direct energy-targeting method to mean-field excited states.Nuclear quantum effects induce metallization of dense solid molecular hydrogen.Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo.High-pressure hydrogen sulfide by diffusion quantum Monte Carlo.Quantum Monte Carlo with variable spins: Fixed-phase and fixed-node approximations.Diffusion quantum Monte Carlo study of martensitic phase transition energetics: The case of phosphorene.Orbital currents in extended Hubbard models of high-Tc cuprate superconductors.Quantum Monte Carlo method using a stochastic Poisson solver.Dielectric response of periodic systems from quantum Monte Carlo calculations.Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo.Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: application to band-structure calculation for some semiconductors and insulators.Optimization of quantum Monte Carlo wave functions by energy minimization.A practical treatment for the three-body interactions in the transcorrelated variational Monte Carlo method: application to atoms from lithium to neon.Interpretation of Hund's multiplicity rule for the carbon atom.Quadratic diffusion Monte Carlo algorithms for solving atomic many-body problems.Numerical solution of the coupled-cluster single- and double-excitation equations with application to Be and Li-The interaction between hexagonal boron nitride and water from first principles.Pseudospectral techniques in minimum-variance calculations of electron-scattering cross sections.Diffusion quantum Monte Carlo calculation of the quasiparticle effective mass of the two-dimensional homogeneous electron gas
P2860
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P2860
Optimized trial wave functions for quantum Monte Carlo calculations
description
1988 nî lūn-bûn
@nan
1988 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
1988 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
1988年の論文
@ja
1988年論文
@yue
1988年論文
@zh-hant
1988年論文
@zh-hk
1988年論文
@zh-mo
1988年論文
@zh-tw
1988年论文
@wuu
name
Optimized trial wave functions for quantum Monte Carlo calculations
@ast
Optimized trial wave functions for quantum Monte Carlo calculations
@en
Optimized trial wave functions for quantum Monte Carlo calculations
@nl
type
label
Optimized trial wave functions for quantum Monte Carlo calculations
@ast
Optimized trial wave functions for quantum Monte Carlo calculations
@en
Optimized trial wave functions for quantum Monte Carlo calculations
@nl
prefLabel
Optimized trial wave functions for quantum Monte Carlo calculations
@ast
Optimized trial wave functions for quantum Monte Carlo calculations
@en
Optimized trial wave functions for quantum Monte Carlo calculations
@nl
P2093
P1476
Optimized trial wave functions for quantum Monte Carlo calculations
@en
P2093
C. J. Umrigar
J. W. Wilkins
K. G. Wilson
P304
P356
10.1103/PHYSREVLETT.60.1719
P407
P577
1988-04-25T00:00:00Z