Items where Author is "Needs, R. J."

Journal Article

Spink, G. G. and Rios, P. Lopez and Drummond, N. D. and Needs, R. J. (2016) Trion formation in a two-dimensional hole-doped electron gas. Physical review B, 94 (4): 041410. ISSN 2469-9950

Drummond, Neil D. and Monserrat, Bartomeu and Lloyd-Williams, Jonathan H. and Rios, P. Lopez and Pickard, Chris J. and Needs, R. J. (2015) Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures. Nature Communications, 6: 7794. ISSN 2041-1723

Monserrat, Bartomeu and Drummond, Neil and Pickard, Chris J. and Needs, R. J. (2014) Electron-phonon coupling and the metallization of solid helium at terapascal pressures. Physical review letters, 112 (5): 055504. ISSN 0031-9007

Misquitta, A. J. and Maezono, R. and Drummond, Neil and Stone, A. J. and Needs, R. J. (2014) Anomalous nonadditive dispersion interactions in systems of three one-dimensional wires. Physical review B, 89 (4): 045140. ISSN 1098-0121

Spink, G. G. and Needs, R. J. and Drummond, N. D. (2013) Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas. Physical review B, 88 (8): 085121. ISSN 1098-0121

Drummond, N. D. and Needs, R. J. (2013) Quantum Monte Carlo calculation of the Fermi liquid parameters of the two-dimensional homogeneous electron gas. Physical review B, 88 (3): 035133. ISSN 1098-0121

Monserrat, Bartomeu and Drummond, Neil and Needs, R. J. (2013) Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress. Physical review B, 87 (14): 144302. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2013) Diffusion quantum Monte Carlo calculation of the quasiparticle effective mass of the two-dimensional homogeneous electron gas. Physical review B, 87 (4): 045131. ISSN 1550-235X

Lopez Rios, P. and Seth, P. and Drummond, Neil and Needs, R. J. (2012) Framework for constructing generic Jastrow correlation factors. Physical Review E, 86 (3). 036703-036717. ISSN 1539-3755

Drummond, Neil and Lopez Rios, P. and Needs, R. J. and Pickard, C. J. (2011) Quantum Monte Carlo study of a positron in an electron gas. Physical review letters, 107 (20): 207402. ISSN 1079-7114

Drummond, Neil and Cooper, N. R. and Needs, R. J. and Shlyapnikov, G. V. (2011) Quantum Monte Carlo calculation of the zero-temperature phase diagram of the two-component fermionic hard-core gas in two dimensions. Physical review B, 83 (19): 195429. ISSN 1550-235X

Maezono, R. and Drummond, Neil and Ma, A. and Needs, R. J. (2010) Diamond to beta-tin phase transition in Si within diffusion quantum Monte Carlo. Physical review B, 82 (18): 184108. ISSN 1550-235X

Drummond, Neil and Lopez Rios, P. and Pickard, C. J. and Needs, R. J. (2010) First-principles method for impurities in quantum fluids: Positron in an electron gas. Physical review B, 82: 035107. ISSN 1550-235X

Kita, Y. and Tachikawa, M. and Drummond, Neil and Needs, R. J. (2010) A variational Monte Carlo study of positronic compounds using inhomogeneous backflow transformations. Chemistry Letters, 39 (11). pp. 1136-1137. ISSN 0366-7022

Needs, R. J. and Towler, M. D. and Drummond, Neil and Lopez Rios, P. (2009) Continuum variational and diffusion quantum Monte Carlo calculations. Journal of Physics: Condensed Matter, 22 (2): 023201. ISSN 1361-648X

Drummond, Neil and Needs, R. J. (2009) Quantum Monte Carlo calculation of the energy band and quasiparticle effective mass of the two-dimensional Fermi fluid. Physical review B, 80 (24): 245104. ISSN 1550-235X

Hsing, C. R. and Wei, C. M. and Drummond, Neil and Needs, R. J. (2009) Quantum Monte Carlo studies of covalent and metallic clusters: accuracy of density functional approximations. Physical review B, 79 (24): 245401. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2009) Phase diagram of the low-density two-dimensional homogeneous electron gas. Physical review letters, 102 (12): 126402. ISSN 1079-7114

Lee, R. M. and Drummond, Neil and Needs, R. J. (2009) Exciton-exciton interaction and biexciton formation in bilayer systems. Physical review B, 79 (12): 125308. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2009) Quantum Monte Carlo study of the ground state of the two-dimensional Fermi fluid. Physical review B, 79 (8): 085414. ISSN 1550-235X

Drummond, Neil and Needs, R. J. and Sorouri, A. and Foulkes, W. M. C. (2008) Finite-size errors in continuum quantum Monte Carlo calculations. Physical review B, 78 (12): 125106. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2007) van der Waals Interactions between Thin Metallic Wires and Layers. Physical review letters, 99 (16): 166401. ISSN 1079-7114

Lopez Rios, P. and Ma, A. and Drummond, Neil and Towler, M. D. and Needs, R. J. (2006) Inhomogeneous backflow transformations in quantum Monte Carlo calculations. Physical Review E, 74 (6): 066701. ISSN 1539-3755

Drummond, Neil and Needs, R. J. (2006) Quantum Monte Carlo, density functional theory, and pair potential studies of solid neon. Physical review B, 73 (2): 024107. ISSN 1550-235X

Gurtubay, I. G. and Drummond, Neil and Towler, M. D. and Needs, R. J. (2006) Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers. Journal of Chemical Physics, 124 (2): 024318. ISSN 1089-7690

Drummond, Neil and Lopez Rios, P. and Ma, A. and Trail, J. R. and Spink, G. G. and Towler, M. D. and Needs, R. J. (2006) Quantum Monte Carlo study of the Ne atom and the Ne+ ion. Journal of Chemical Physics, 124 (22): 224104. ISSN 1089-7690

Drummond, Neil and Williamson, A. J. and Needs, R. J. and Galli, G. (2005) Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study. Physical review letters, 95 (9): 096801. ISSN 1079-7114

Drummond, Neil and Needs, R. J. (2005) Variance-minimization scheme for optimizing Jastrow factors. Physical review B, 72 (8): 085124. ISSN 1550-235X

Ma, A. and Drummond, Neil and Towler, M. D. and Needs, R. J. (2005) All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe. Physical Review E, 71 (6): 066704. ISSN 1539-3755

Tan, M. Y. J. and Drummond, Neil and Needs, R. J. (2005) Exciton and biexciton energies in bilayer systems. Physical review B, 71 (3): 033303. ISSN 1550-235X

Ma, A. and Towler, M. D. and Drummond, Neil and Needs, R. J. (2005) Scheme for adding electron–nucleus cusps to Gaussian orbitals. Journal of Chemical Physics, 122 (22): 224322. ISSN 1089-7690

Drummond, Neil and Towler, M. D. and Needs, R. J. (2004) Jastrow correlation factor for atoms, molecules, and solids. Physical review B, 70 (23): 235119. ISSN 1550-235X

Drummond, Neil and Radnai, Z. and Trail, J. R. and Towler, M. D. and Needs, R. J. (2004) Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals. Physical review B, 69 (8): 085116. ISSN 1550-235X