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Continuum variational and diffusion quantum Monte Carlo calculations

Journal of physics. Condensed matter, 2010-01, Vol.22 (2), p.023201-023201 (15)

2010

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Variational and diffusion quantum Monte Carlo calculations with the CASINO code

The Journal of chemical physics, 2020-04, Vol.152 (15), p.154106-154106

2020

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

Proceedings of the National Academy of Sciences - PNAS, 2010-05, Vol.107 (21), p.9519-9524

2010

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Scheme for adding electron-nucleus cusps to Gaussian orbitals

The Journal of chemical physics, 2005-06, Vol.122 (22), p.224322-224322

2005

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Electronic structure of p-type conducting transparent oxides

Thin solid films, 2002-05, Vol.411 (1), p.96-100

2002

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Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations

Physical review letters, 2007-01, Vol.98 (2), p.025701-025701, Article 025701

2007

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Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations

Physical review letters, 2010-05, Vol.104 (18), p.185702-185702, Article 185702

2010

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Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (1), p.014114.1-014114.7, Article 014114

2005

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The quantum Monte Carlo method

Physica Status Solidi (b), 2006-09, Vol.243 (11), p.2573-2598

Towler, M. D.

2006

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Quantum Monte Carlo calculations of the dissociation energy of the water dimer

The Journal of chemical physics, 2006-09, Vol.125 (10), p.104302-104302

2006

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Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters

The Journal of chemical physics, 2012-06, Vol.136 (24), p.244105-244105

2012

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Jastrow correlation factor for atoms, molecules, and solids

Physical review. B, Condensed matter and materials physics, 2004-12, Vol.70 (23), p.235119.1-235119.11, Article 235119

2004

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Quantum Monte Carlo study of porphyrin transition metal complexes

The Journal of chemical physics, 2008-08, Vol.129 (8), p.085103-085103-5

2008

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Quantum Monte Carlo study of the Ne atom and the Ne + ion

The Journal of chemical physics, 2006-06, Vol.124 (22), p.224104-224104-6

2006

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Interpretation of Hund's multiplicity rule for the carbon atom

The Journal of chemical physics, 2004-10, Vol.121 (15), p.7144-7147

2004

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Inhomogeneous backflow transformations in quantum Monte Carlo calculations

Physical review. E, Statistical, nonlinear, and soft matter physics, 2006-12, Vol.74 (6 Pt 2), p.066701-066701, Article 066701

2006

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Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers

The Journal of chemical physics, 2006-01, Vol.124 (2), p.024318-024318

2006

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Coulomb finite-size effects in quasi-two-dimensional systems

Journal of physics. Condensed matter, 2004-02, Vol.16 (6), p.891-902

2004

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Electronic excited-state wave functions for quantum Monte Carlo: Application to silane and methane

The Journal of chemical physics, 2001-05, Vol.114 (18), p.7795-7804

2001

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Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon

Physical review. B, Condensed matter, 1998-06, Vol.57 (24), p.15293-15302

1998

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Time scales for dynamical relaxation to the Born rule

Proceedings of the Royal Society. A, Mathematical, physical, and engineering sciences, 2012-04, Vol.468 (2140), p.990-1013

2012

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Density functional theory in periodic systems using local Gaussian basis sets

Computer physics communications, 1996-10, Vol.98 (1), p.181-205

1996

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Erratum: "Quantum Monte Carlo study of the Ne atom and the Ne + ion"[ J. Chem. Phys. 124 , 224104 ( 2006 ) ]

The Journal of chemical physics, 2009-10, Vol.131 (14), p.149901-149901-1

2009

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All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe

Physical review. E, Statistical, nonlinear, and soft matter physics, 2005-06, Vol.71 (6 Pt 2), p.066704-066704, Article 066704

2005

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Cluster and supercell calculations for carbon-doped silicon

Journal of physics. Condensed matter, 1996-02, Vol.8 (9), p.1123-1133

1996

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Continuum variational and diffusion quantum Monte Carlo calculations

Variational and diffusion quantum Monte Carlo calculations with the CASINO code

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

Scheme for adding electron-nucleus cusps to Gaussian orbitals

Electronic structure of p-type conducting transparent oxides

Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations

Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations

Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO

The quantum Monte Carlo method

Quantum Monte Carlo calculations of the dissociation energy of the water dimer

Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters

Jastrow correlation factor for atoms, molecules, and solids

Quantum Monte Carlo study of porphyrin transition metal complexes

Quantum Monte Carlo study of the Ne atom and the Ne + ion

Interpretation of Hund's multiplicity rule for the carbon atom

Inhomogeneous backflow transformations in quantum Monte Carlo calculations

Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers

Coulomb finite-size effects in quasi-two-dimensional systems

Electronic excited-state wave functions for quantum Monte Carlo: Application to silane and methane

Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon

Time scales for dynamical relaxation to the Born rule

Density functional theory in periodic systems using local Gaussian basis sets

Erratum: "Quantum Monte Carlo study of the Ne atom and the Ne + ion"[ J. Chem. Phys. 124 , 224104 ( 2006 ) ]

All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe

Cluster and supercell calculations for carbon-doped silicon

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