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

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

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

(2010) K. P. Esler 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

Continuum variational and diffusion quantum Monte Carlo calculations

(2009) R J Needs et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2009) Wirawan Purwanto et al.   PHYSICAL REVIEW B

Spectroscopic data for the LiH molecule from pseudopotential quantum Monte Carlo calculations

(2008) J. R. Trail et al.   JOURNAL OF CHEMICAL PHYSICS

Diamond to β-Sn phase transition of silicon under hydrostatic and nonhydrostatic compressions

(2008) Murat Durandurdu   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic surface error in the Si interstitial formation energy

(2008) Ann E. Mattsson et al.   PHYSICAL REVIEW B

Acceleratingab initiocalculation of phonon dispersion curves:q-point convergence

(2008) Katalin Gaál-Nagy   PHYSICAL REVIEW B

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