Related references
Note: Only part of the references are listed.Continuum variational and diffusion quantum Monte Carlo calculations
R. J. Needs et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Phase transformation in Si from semiconducting diamond to metallic β-Sn phase in QMC and DFT under hydrostatic and anisotropic stress
R. G. Hennig 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)
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)
Pressure-induced diamond to β-tin transition in bulk silicon: A quantum Monte Carlo study
Wirawan Purwanto et al.
PHYSICAL REVIEW B (2009)
Spectroscopic data for the LiH molecule from pseudopotential quantum Monte Carlo calculations
J. R. Trail et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Diamond to β-Sn phase transition of silicon under hydrostatic and nonhydrostatic compressions
Murat Durandurdu
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Electronic surface error in the Si interstitial formation energy
Ann E. Mattsson et al.
PHYSICAL REVIEW B (2008)
Accelerating ab initio calculation of phonon dispersion curves: q-point convergence
Katalin Gaal-Nagy
PHYSICAL REVIEW B (2008)
Finite-size errors in continuum quantum Monte Carlo calculations
N. D. Drummond et al.
PHYSICAL REVIEW B (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)
Energy-consistent pseudopotentials for quantum monte carlo calculations
M. Burkatzki 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)
Inhomogeneous backflow transformations in quantum Monte Carlo calculations
P. Lopez Rios et al.
PHYSICAL REVIEW E (2006)
Beyond the locality approximation in the standard diffusion Monte Carlo method
Michele Casula
PHYSICAL REVIEW B (2006)
Finite-size error in many-body simulations with long-range interactions
Simone Chiesa et al.
PHYSICAL REVIEW LETTERS (2006)
Transition pressures and enthalpy barriers for the cubic diamond→β-tin transition in Si and Ge under nonhydrostatic conditions
K Gaál-Nagy 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)
Variance-minimization scheme for optimizing Jastrow factors
ND Drummond 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)
Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg
JR Trail et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
First principles methods using CASTEP
SJ Clark et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior
JR Trail et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Ab initio study of the β-tin→Imma→sh phase transitions in silicon and germanium -: art. no. 134112
K Gaál-Nagy et al.
PHYSICAL REVIEW B (2004)
Efficient localized basis set for quantum Monte Carlo calculations on condensed matter -: art. no. 161101
D Alfè et al.
PHYSICAL REVIEW B (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)
Quantum Monte Carlo study of sodium
R Maezono et al.
PHYSICAL REVIEW B (2003)
High-pressure phases of group-IV, III-V, and II-VI compounds
A Mujica et al.
REVIEWS OF MODERN PHYSICS (2003)
Quantum Monte Carlo method using phase-free random walks with slater determinants
SW Zhang et al.
PHYSICAL REVIEW LETTERS (2003)
Uniaxial phase transition in Si:: Ab initio calculations -: art. no. 134109
C Cheng
PHYSICAL REVIEW B (2003)
Core-polarization potentials for Si and Ti
Y Lee et al.
PHYSICAL REVIEW B (2003)
Quantum Monte Carlo investigations of density functional theory of the strongly inhomogeneous electron gas
M Nekovee et al.
PHYSICAL REVIEW B (2003)
Ab initio study of the high-pressure phase transition from the cubic-diamond to the β-tin structure of Si
K Gaál-Nagy et al.
COMPUTATIONAL MATERIALS SCIENCE (2001)
Quantum Monte Carlo analysis of exchange and correlation in the strongly inhomogeneous electron gas
M Nekovee et al.
PHYSICAL REVIEW LETTERS (2001)
Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms
C Lin et al.
PHYSICAL REVIEW E (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)
Pressure-induced distortion of the β-Sn phase in silicon:: Effects of nonhydrostaticity
H Libotte et al.
PHYSICAL REVIEW B (2000)
Share Paper
