Related references
Note: Only part of the references are listed.Computer simulation of phase transitions in classical and quantum systems
B. J. Alder et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited
Michele Casula et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Benchmark quantum Monte Carlo calculations of the ground-state kinetic, interaction and total energy of the three-dimensional electron gas
I. G. Gurtubay et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Methods for calculating forces within quantum Monte Carlo simulations
A. Badinski et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Ultracold atoms at unitarity within quantum Monte Carlo methods
Andrew J. Morris et al.
PHYSICAL REVIEW A (2010)
Diffusion Monte Carlo: Exponential scaling of computational cost for large systems
Norbert Nemec
PHYSICAL REVIEW B (2010)
Efficient method for the quantum Monte Carlo evaluation of the static density response function of a many-electron system
R. Gaudoin et al.
PHYSICAL REVIEW B (2010)
Wave functions for quantum Monte Carlo calculations in solids: Orbitals from density functional theory with hybrid exchange-correlation functionals
Jindrich Kolorenc et al.
PHYSICAL REVIEW B (2010)
Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations
K. P. Esler et al.
PHYSICAL REVIEW LETTERS (2010)
Momentum Distribution and Renormalization Factor in Sodium and the Electron Gas
Simo Huotari et al.
PHYSICAL REVIEW LETTERS (2010)
Quantum Monte Carlo computations of phase stability, equations of state, and elasticity of high-pressure silica
K. P. Driver et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Quantum Monte Carlo Studies of Transition Metal Oxides
Lubos Mitas et al.
THEORETICAL AND COMPUTATIONAL METHODS IN MINERAL PHYSICS: GEOPHYSICAL APPLICATIONS (2010)
ELECTRONIC STRUCTURE QUANTUM MONTE CARLO
Michal Bajdich et al.
ACTA PHYSICA SLOVACA (2009)
Improving Reptation Quantum Monte Carlo
Wai Kong Yuen et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
QWalk: A quantum Monte Carlo program for electronic structure
Lucas K. Wagner et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2009)
Benchmarking DFT surface energies with quantum Monte Carlo
S. J. Binnie et al.
MOLECULAR SIMULATION (2009)
Quantum Monte Carlo study of the ground state of the two-dimensional Fermi fluid
N. D. Drummond et al.
PHYSICAL REVIEW B (2009)
Quantum Monte Carlo study of the two-dimensional electron gas in presence of Rashba interaction
A. Ambrosetti et al.
PHYSICAL REVIEW B (2009)
Norm-conserving diffusion Monte Carlo method and diagrammatic expansion of interacting drude oscillators: Application to solid xenon
Andrew Jones et al.
PHYSICAL REVIEW B (2009)
Equation of state of hexagonal closed packed iron under Earth's core conditions from quantum Monte Carlo calculations
E. Sola et al.
PHYSICAL REVIEW B (2009)
Pressure-induced diamond to β-tin transition in bulk silicon: A quantum Monte Carlo study
Wirawan Purwanto et al.
PHYSICAL REVIEW B (2009)
Renormalization factor and effective mass of the two-dimensional electron gas
Markus Holzmann et al.
PHYSICAL REVIEW B (2009)
Melting of Iron under Earth's Core Conditions from Diffusion Monte Carlo Free Energy Calculations
Ester Sola et al.
PHYSICAL REVIEW LETTERS (2009)
Nature and Strength of Interlayer Binding in Graphite
Leonardo Spanu et al.
PHYSICAL REVIEW LETTERS (2009)
Phase Diagram of the Low-Density Two-Dimensional Homogeneous Electron Gas
N. D. Drummond et al.
PHYSICAL REVIEW LETTERS (2009)
Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations
M. Burkatzki et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules
Julien Toulouse et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Model systems for exploring electron correlation effects in the buckling of SiSi dimers on the Si(100) surface
W. M. Lampart et al.
MOLECULAR PHYSICS (2008)
Energetics and structural properties of trapped two-component Fermi gases
J. von Stecher et al.
PHYSICAL REVIEW A (2008)
Extended Thomas-Fermi density functional for the unitary Fermi gas
Luca Salasnich et al.
PHYSICAL REVIEW A (2008)
Hydrogen dissociation on Mg(0001) studied via quantum Monte Carlo calculations
M. Pozzo et al.
PHYSICAL REVIEW B (2008)
Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods
M. Bajdich et al.
PHYSICAL REVIEW B (2008)
Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations
M. Pozzo et al.
PHYSICAL REVIEW B (2008)
Finite-size errors in continuum quantum Monte Carlo calculations
N. D. Drummond et al.
PHYSICAL REVIEW B (2008)
Heavy-tailed random error in quantum Monte Carlo
J. R. Trail
PHYSICAL REVIEW E (2008)
Finite-size correction in many-body electronic structure calculations
Hendra Kwee et al.
PHYSICAL REVIEW LETTERS (2008)
Quantum Monte Carlo Calculations of Structural Properties of FeO Under Pressure
Jindrich Kolorenc et al.
PHYSICAL REVIEW LETTERS (2008)
First-principles studies of the metallization and the equation of state of solid helium
S. A. Khairallah et al.
PHYSICAL REVIEW LETTERS (2008)
Theory of ultracold atomic Fermi gases
Stefano Giorgini et al.
REVIEWS OF MODERN PHYSICS (2008)
Orbital-dependent density functionals: Theory and applications
Stephan Kummel et al.
REVIEWS OF MODERN PHYSICS (2008)
Ab Initio Determination of Light Hadron Masses
S. Duerr et al.
SCIENCE (2008)
Universal properties of a trapped two-component fermi gas at unitarity
D. Blume et al.
PHYSICAL REVIEW LETTERS (2007)
General performance of density functionals
Sergio Filipe Sousa et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
van der Waals interactions between thin metallic wires and layers
N. D. Drummond et al.
PHYSICAL REVIEW LETTERS (2007)
Hellman-Feynman operator sampling in Diffusion Monte Carlo calculations
R. Gaudoin et al.
PHYSICAL REVIEW LETTERS (2007)
Transition metal oxides using quantum Monte Carlo
Lucas K. Wagner
JOURNAL OF PHYSICS-CONDENSED MATTER (2007)
Quantum Monte Carlo calculations of the surface energy of an electron gas
B. Wood et al.
PHYSICAL REVIEW B (2007)
Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density
Julien Toulouse et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Energy-consistent pseudopotentials for quantum monte carlo calculations
M. Burkatzki et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Equation of state of cubic boron nitride at high pressures and temperatures
F. Datchi et al.
PHYSICAL REVIEW B (2007)
Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functions
Rajendra Prasad et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Alleviation of the fermion-sign problem by optimization of many-body wave functions
C. J. Umrigar et al.
PHYSICAL REVIEW LETTERS (2007)
Improved Monte Carlo estimators for the one-body density
Roland Assaraf et al.
PHYSICAL REVIEW E (2007)
Optimization of quantum Monte Carlo wave functions by energy minimization
Julien Toulouse et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo
Lucas K. Wagner et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Equation of state and raman frequency of diamond from quantum Monte Carlo simulations
Ryo Maezono et al.
PHYSICAL REVIEW LETTERS (2007)
Inhomogeneous backflow transformations in quantum Monte Carlo calculations
P. Lopez Rios et al.
PHYSICAL REVIEW E (2006)
Electronic structure calculations of solids with a similarity-transformed Hamiltonian
Rei Sakuma et al.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2006)
Beyond the locality approximation in the standard diffusion Monte Carlo method
Michele Casula
PHYSICAL REVIEW B (2006)
The energetics of oxide surfaces by quantum Monte Carlo
D. Alfe et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2006)
Many-body wavefunctions for normal liquid 3He
Markus Holzmann et al.
PHYSICAL REVIEW B (2006)
Finite-size error in many-body simulations with long-range interactions
Simone Chiesa et al.
PHYSICAL REVIEW LETTERS (2006)
Structure of fermion nodes and nodal cells
Lubos Mitas
PHYSICAL REVIEW LETTERS (2006)
Role of the one-body Jastrow factor in the transcorrelated self-consistent field equation
N Umezawa et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations
M Bajdich et al.
PHYSICAL REVIEW LETTERS (2006)
Quantum Monte Carlo, density functional theory, and pair potential studies of solid neon
ND Drummond et al.
PHYSICAL REVIEW B (2006)
Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects
Enrique R. Batista et al.
PHYSICAL REVIEW B (2006)
Momentum distribution and condensate fraction of a fermion gas in the BCS-BEC crossover
GE Astrakharchik et al.
PHYSICAL REVIEW LETTERS (2005)
An investigation of nodal structures and the construction of trial wave functions
D Bressanini et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Unexpected symmetry in the nodal structure of the he atom
D Bressanini et al.
PHYSICAL REVIEW LETTERS (2005)
Computational methods in coupled electron-ion Monte Carlo simulations
C Pierleoni et al.
CHEMPHYSCHEM (2005)
Condensate fraction of a Fermi gas in the BCS-BEC crossover
L Salasnich et al.
PHYSICAL REVIEW A (2005)
Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies
M Bajdich et al.
PHYSICAL REVIEW B (2005)
Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO -: art. no. 014114
D Alfè et al.
PHYSICAL REVIEW B (2005)
Scheme for adding electron-nucleus cusps to Gaussian orbitals
A Ma et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe
A Ma et al.
PHYSICAL REVIEW E (2005)
Schottky defect formation energy in MgO calculated by diffusion Monte Carlo -: art. no. 220101
D Alfè et al.
PHYSICAL REVIEW B (2005)
Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg
JR Trail et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Energy and variance optimization of many-body wave functions
CJ Umrigar et al.
PHYSICAL REVIEW LETTERS (2005)
Optimized nonorthogonal localized orbitals for linear scaling quantum Monte Carlo calculations
FA Reboredo et al.
PHYSICAL REVIEW B (2005)
Efficient quantum monte carlo energies for molecular dynamics simulations
JC Grossman et al.
PHYSICAL REVIEW LETTERS (2005)
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior
JR Trail et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
High-precision lattice QCD confronts experiment
CTH Davies et al.
PHYSICAL REVIEW LETTERS (2004)
Efficient localized basis set for quantum Monte Carlo calculations on condensed matter -: art. no. 161101
D Alfè et al.
PHYSICAL REVIEW B (2004)
Quantum Monte Carlo studies of superfluid Fermi gases
SY Chang et al.
PHYSICAL REVIEW A (2004)
Diamond and β-tin structures of Si studied with quantum Monte Carlo calculations -: art. no. 214102
D Alfè et al.
PHYSICAL REVIEW B (2004)
Jastrow correlation factor for atoms, molecules, and solids
ND Drummond et al.
PHYSICAL REVIEW B (2004)
Linear-scaling quantum Monte Carlo technique with non-orthogonal localized orbitals
D Alfè et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2004)
Equation of state of a Fermi gas in the BEC-BCS crossover: A quantum Monte Carlo study
GE Astrakharchik et al.
PHYSICAL REVIEW LETTERS (2004)
Optimized Jastrow-Slater wave functions for ground and excited states: Application to the lowest states of ethene
F Schautz et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Correlated geminal wave function for molecules: An efficient resonating valence bond approach
M Casula et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Transcorrelated method for electronic systems coupled with variational Monte Carlo calculation
N Umezawa et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
The diffusion quantum Monte Carlo method: Designing trial wave functions for NiO
RJ Needs et al.
INTERNATIONAL JOURNAL OF MODERN PHYSICS B (2003)
Quantum Monte Carlo study of sodium
R Maezono et al.
PHYSICAL REVIEW B (2003)
Geminal wave functions with Jastrow correlation: A first application to atoms
M Casula et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Quantum Monte Carlo study of the optical and diffusive properties of the vacancy defect in diamond
RQ Hood et al.
PHYSICAL REVIEW LETTERS (2003)
Superfluid Fermi gases with large scattering length
J Carlson et al.
PHYSICAL REVIEW LETTERS (2003)
Neutron matter at zero temperature with an auxiliary field diffusion Monte Carlo method
A Sarsa et al.
PHYSICAL REVIEW C (2003)
A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules
L Wagner et al.
CHEMICAL PHYSICS LETTERS (2003)
Study of the phase transformations and equation of state of magnesium by synchrotron x-ray diffraction
D Errandonea et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2003)
Ab initio calculations of the cohesive energy and the bulk modulus of aluminium
R Gaudoin et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Spin polarization of the low-density three-dimensional electron gas
FH Zong et al.
PHYSICAL REVIEW E (2002)
Ground-state reconstruction of the Si(001) surface: symmetric versus buckled dimers
P Bokes et al.
CHEMICAL PHYSICS LETTERS (2002)
Benchmark quantum Monte Carlo calculations
JC Grossman
JOURNAL OF CHEMICAL PHYSICS (2002)
Correlation energy and spin polarization in the 2D electron gas
C Attaccalite et al.
PHYSICAL REVIEW LETTERS (2002)
Excitonic condensation in a symmetric electron-hole bilayer
S De Palo et al.
PHYSICAL REVIEW LETTERS (2002)
Linear-scaling quantum Monte Carlo calculations
AJ Williamson et al.
PHYSICAL REVIEW LETTERS (2001)
On the accuracy of the fixed-node diffusion quantum Monte Carlo method
S Manten et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Optimization of ground- and excited-state wave functions and van der Waals clusters
MP Nightingale et al.
PHYSICAL REVIEW LETTERS (2001)
Role of electronic correlation in the Si(100) reconstruction: A quantum Monte Carlo study
SB Healy et al.
PHYSICAL REVIEW LETTERS (2001)
Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms
C Lin et al.
PHYSICAL REVIEW E (2001)
Soft pseudopotentials for efficient quantum Monte Carlo calculations: From Be to Ne and Al to Ar
I Ovcharenko et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Spin-polarization transition in the two-dimensional electron gas
D Varsano et al.
EUROPHYSICS LETTERS (2001)
Quantum Monte Carlo simulations of solids
WMC Foulkes et al.
REVIEWS OF MODERN PHYSICS (2001)
Pseudopotentials for correlated-electron calculations
Y Lee et al.
PHYSICAL REVIEW B (2000)
Computing forces with quantum Monte Carlo
R Assaraf et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Minimum principles and level splitting in quantum Monte Carlo excitation energies: Application to diamond
MD Towler et al.
PHYSICAL REVIEW B (2000)
Diffusion Monte Carlo methods with a fixed number of walkers
R Assaraf et al.
PHYSICAL REVIEW E (2000)
Optimal orbitals from energy fluctuations in correlated wave functions
C Filippi et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Effect of defects on the elastic properties of wustite
JZ Zhang
PHYSICAL REVIEW LETTERS (2000)