Delocalized oxygen as the origin of two-level defects in Josephson junctions TC DuBois, MC Per, SP Russo, JH Cole
Physical review letters 110 (7), 077002, 2013
40 2013 How important is orbital choice in single-determinant diffusion quantum Monte Carlo calculations? MC Per, KA Walker, SP Russo
Journal of Chemical Theory and Computation 8, 2255-2259, 2012
39 2012 Ab initio calculation of valley splitting in monolayer δ -doped phosphorus in siliconDW Drumm, A Budi, MC Per, SP Russo, LC L Hollenberg
Nanoscale research letters 8, 1-11, 2013
37 2013 Ab initio calculation of energy levels for phosphorus donors in silicon JS Smith, A Budi, MC Per, N Vogt, DW Drumm, LCL Hollenberg, JH Cole, ...
Scientific reports 7 (1), 6010, 2017
32 2017 Anisotropic intracule densities and electron correlation in H2: a quantum Monte Carlo study MC Per, SP Russo, IK Snook
The Journal of chemical physics 130 (13), 2009
31 2009 Electron-nucleus cusp correction and forces in quantum Monte Carlo MC Per, SP Russo, IK Snook
The Journal of chemical physics 128 (11), 2008
30 2008 Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo MC Per, DM Cleland
The Journal of Chemical Physics 146 (16), 2017
23 2017 Quantum Monte Carlo calculations of the potential energy curve of the helium dimer R Springall, MC Per, SP Russo, IK Snook
The Journal of chemical physics 128 (11), 2008
22 2008 Molecular ionization and deprotonation energies as indicators of functional coating performance M Breedon, MC Per, IS Cole, AS Barnard
Journal of Materials Chemistry A 2 (39), 16660-16668, 2014
21 2014 Ab Initio Electronic Properties of Monolayer Phosphorus Nanowires in SiliconDW Drumm, JS Smith, MC Per, A Budi, LCL Hollenberg, SP Russo
Physical review letters 110 (12), 126802, 2013
21 2013 Size and shape dependent deprotonation potential and proton affinity of nanodiamond AS Barnard, MC Per
Nanotechnology 25 (44), 445702, 2014
20 2014 Ab initio thermodynamics calculation of the relative concentration of NV− and NV 0 defects in diamond BT Webber, MC Per, DW Drumm, LCL Hollenberg, SP Russo
Physical Review B 85 (1), 014102, 2012
20 2012 Thermodynamic stability of neutral Xe defects in diamond DW Drumm, MC Per, SP Russo, LCL Hollenberg
Physical Review B 82 (5), 054102, 2010
17 2010 Some comments on the DFT+ D method IK Snook, MC Per, A Seyed-Razavi, SP Russo
Chemical Physics Letters 480 (4-6), 327-329, 2009
15 2009 Performance of quantum Monte Carlo for calculating molecular bond lengths DM Cleland, MC Per
The Journal of chemical physics 144 (12), 2016
14 2016 Electronic properties of multiple adjacent -doped Si:P layers: The approach to monolayer confinement A Budi, DW Drumm, MC Per, A Tregonning, SP Russo, LCL Hollenberg
Physical Review B 86 (16), 165123, 2012
14 2012 Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes H Shi, RJ Rees, MC Per, AS Barnard
Nanoscale 7 (5), 1864-1871, 2015
13 2015 Efficient calculation of unbiased expectation values in diffusion quantum Monte Carlo MC Per, IK Snook, SP Russo
Physical Review B 86 (20), 201107, 2012
13 2012 Efficient protocol for quantum M onte C arlo calculations of hydrogen abstraction barriers: Application to methanol ET Swann, ML Coote, AS Barnard, MC Per
International Journal of Quantum Chemistry 117 (9), e25361, 2017
11 2017 Density functional orbitals in quantum Monte Carlo: The importance of accurate densities MC Per, EK Fletcher, DM Cleland
The Journal of Chemical Physics 150 (18), 2019
10 2019