Applications of quantum Monte Carlo methods in condensed systems

Electronic structure quantum Monte Carlo

(2010) Michal Bajdich et al.   ACTA PHYSICA SLOVACA

Computer simulation of phase transitions in classical and quantum systems

(2010) B. J. Alder et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited

(2010) Michele Casula et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmark quantum Monte Carlo calculations of the ground-state kinetic, interaction and total energy of the three-dimensional electron gas

(2010) I G Gurtubay et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Methods for calculating forces within quantum Monte Carlo simulations

(2010) A Badinski et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ultracold atoms at unitarity within quantum Monte Carlo methods

(2010) Andrew J. Morris et al.   PHYSICAL REVIEW A

Diffusion Monte Carlo: Exponential scaling of computational cost for large systems

(2010) Norbert Nemec   PHYSICAL REVIEW B

Efficient method for the quantum Monte Carlo evaluation of the static density response function of a many-electron system

(2010) R. Gaudoin et al.   PHYSICAL REVIEW B

Wave functions for quantum Monte Carlo calculations in solids: Orbitals from density functional theory with hybrid exchange-correlation functionals

(2010) Jindřich Kolorenč et al.   PHYSICAL REVIEW B

Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations

(2010) K. P. Esler et al.   PHYSICAL REVIEW LETTERS

Momentum Distribution and Renormalization Factor in Sodium and the Electron Gas

(2010) Simo Huotari et al.   PHYSICAL REVIEW LETTERS

Quantum Monte Carlo computations of phase stability, equations of state, and elasticity of high-pressure silica

(2010) K. P. Driver et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantum Monte Carlo Studies of Transition Metal Oxides

(2010) L. Mitas et al.   Reviews in Mineralogy & Geochemistry

Improving reptation quantum Monte Carlo

(2009) Wai Kong Yuen et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

QWalk: A quantum Monte Carlo program for electronic structure

(2009) Lucas K. Wagner et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Benchmarking DFT surface energies with quantum Monte Carlo

(2009) S.J. Binnie et al.   MOLECULAR SIMULATION

Quantum Monte Carlo study of the ground state of the two-dimensional Fermi fluid

(2009) N. D. Drummond et al.   PHYSICAL REVIEW B

Quantum Monte Carlo study of the two-dimensional electron gas in presence of Rashba interaction

(2009) A. Ambrosetti et al.   PHYSICAL REVIEW B

Norm-conserving diffusion Monte Carlo method and diagrammatic expansion of interacting Drude oscillators: Application to solid xenon

(2009) Andrew Jones et al.   PHYSICAL REVIEW B

Equation of state of hexagonal closed packed iron under Earth’s core conditions from quantum Monte Carlo calculations

(2009) E. Sola et al.   PHYSICAL REVIEW B

Pressure-induced diamond toβ-tin transition in bulk silicon: A quantum Monte Carlo study

(2009) Wirawan Purwanto et al.   PHYSICAL REVIEW B

Renormalization factor and effective mass of the two-dimensional electron gas

(2009) Markus Holzmann et al.   PHYSICAL REVIEW B

Melting of Iron under Earth’s Core Conditions from Diffusion Monte Carlo Free Energy Calculations

(2009) Ester Sola et al.   PHYSICAL REVIEW LETTERS

Nature and Strength of Interlayer Binding in Graphite

(2009) Leonardo Spanu et al.   PHYSICAL REVIEW LETTERS

Phase Diagram of the Low-Density Two-Dimensional Homogeneous Electron Gas

(2009) N. D. Drummond et al.   PHYSICAL REVIEW LETTERS

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations

(2008) M. Burkatzki et al.   JOURNAL OF CHEMICAL PHYSICS

Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules

(2008) Julien Toulouse et al.   JOURNAL OF CHEMICAL PHYSICS

Model systems for exploring electron correlation effects in the buckling of SiSi dimers on the Si(100) surface

(2008) W. M. Lampart et al.   MOLECULAR PHYSICS

Energetics and structural properties of trapped two-component Fermi gases

(2008) J. von Stecher et al.   PHYSICAL REVIEW A

Extended Thomas-Fermi density functional for the unitary Fermi gas

(2008) Luca Salasnich et al.   PHYSICAL REVIEW A

Hydrogen dissociation on Mg(0001) studied via quantum Monte Carlo calculations

(2008) M. Pozzo et al.   PHYSICAL REVIEW B

Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods

(2008) M. Bajdich et al.   PHYSICAL REVIEW B

Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations

(2008) M. Pozzo et al.   PHYSICAL REVIEW B

Finite-size errors in continuum quantum Monte Carlo calculations

(2008) N. D. Drummond et al.   PHYSICAL REVIEW B

Heavy-tailed random error in quantum Monte Carlo

(2008) J. R. Trail   PHYSICAL REVIEW E

Finite-Size Correction in Many-Body Electronic Structure Calculations

(2008) Hendra Kwee et al.   PHYSICAL REVIEW LETTERS

Quantum Monte Carlo Calculations of Structural Properties of FeO Under Pressure

(2008) Jindřich Kolorenč et al.   PHYSICAL REVIEW LETTERS

First-Principles Studies of the Metallization and the Equation of State of Solid Helium

(2008) S. A. Khairallah et al.   PHYSICAL REVIEW LETTERS

Theory of ultracold atomic Fermi gases

(2008) Stefano Giorgini et al.   REVIEWS OF MODERN PHYSICS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS

Ab Initio Determination of Light Hadron Masses

(2008) S. Durr et al.   SCIENCE