Finite-size correction in many-body electronic structure calculations of magnetic systems

Ab initiocalculations for theβ-tin diamond transition in silicon: Comparing theories with experiments

(2011) Sandro Sorella et al.   PHYSICAL REVIEW B

Phase transformation in Si from semiconducting diamond to metallicβ-Snphase in QMC and DFT under hydrostatic and anisotropic stress

(2010) R. G. Hennig et al.   PHYSICAL REVIEW B

Diamond toβ-tin phase transition in Si within diffusion quantum Monte Carlo

(2010) Ryo Maezono et al.   PHYSICAL REVIEW B

Bulk and surface energetics of crystalline lithium hydride: Benchmarks from quantum Monte Carlo and quantum chemistry

(2010) S. J. Binnie 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

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory

(2009) Huy-Viet Nguyen 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

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

(2009) Ester Sola et al.   PHYSICAL REVIEW LETTERS

Finite-size errors in continuum quantum Monte Carlo calculations

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

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

Orbital-dependent density functionals: Theory and applications

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