Continuum variational and diffusion quantum Monte Carlo calculations von Needs, R J, Towler, M D, Drummond, N D, López Ríos, P

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Variational and diffusion quantum Monte Carlo calculations with the CASINO code von Needs, R. J., Towler, M. D., Drummond, N. D., López Ríos, P., Trail, J. R.

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Quantum Monte Carlo computations of phase stability, equations of state, and elasticity of high-pressure silica von Driver, K.P, Cohen, R.E, Wu, Zhigang, Militzer, B, Ríos, P. López, Towler, M.D, Needs, R.J, Wilkins, J.W

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Scheme for adding electron-nucleus cusps to Gaussian orbitals von Ma, A, Towler, M D, Drummond, N D, Needs, R J

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Electronic structure of p-type conducting transparent oxides von Robertson, J, Peacock, P.W, Towler, M.D, Needs, R

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Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations von Maezono, Ryo, Ma, A, Towler, M D, Needs, R J

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Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations von Esler, K P, Cohen, R E, Militzer, B, Kim, Jeongnim, Needs, R J, Towler, M D

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Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO von ALFE, D, ALFREDSSON, M, BRODHOLT, J, GILLAN, M. J, TOWLER, M. D, NEEDS, R. J

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The quantum Monte Carlo method von Towler, M. D.

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Quantum Monte Carlo calculations of the dissociation energy of the water dimer von Benedek, N A, Snook, I K, Towler, M D, Needs, R J

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Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters von Gillan, M J, Manby, F R, Towler, M D, Alfè, D

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Jastrow correlation factor for atoms, molecules, and solids von DRUMMOND, N. D, TOWLER, M. D, NEEDS, R. J

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Quantum Monte Carlo study of porphyrin transition metal complexes von Koseki, Jun, Maezono, Ryo, Tachikawa, Masanori, Towler, M. D., Needs, R. J.

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Quantum Monte Carlo study of the Ne atom and the Ne + ion von Drummond, N. D., López Ríos, P., Ma, A., Trail, J. R., Spink, G. G., Towler, M. D., Needs, R. J.

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Interpretation of Hund's multiplicity rule for the carbon atom von Hongo, Kenta, Maezono, Ryo, Kawazoe, Yoshiyuki, Yasuhara, Hiroshi, Towler, M D, Needs, R J

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Inhomogeneous backflow transformations in quantum Monte Carlo calculations von López Ríos, P, Ma, A, Drummond, N D, Towler, M D, Needs, R J

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Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers von Gurtubay, I G, Drummond, N D, Towler, M D, Needs, R J

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Coulomb finite-size effects in quasi-two-dimensional systems von Wood, B, Foulkes, W M C, Towler, M D, Drummond, N D

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Electronic excited-state wave functions for quantum Monte Carlo: Application to silane and methane von Porter, A. R., Al-Mushadani, O. K., Towler, M. D., Needs, R. J.

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Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon von Kent, P. R. C., Hood, Randolph Q., Towler, M. D., Needs, R. J., Rajagopal, G.

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