QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ... Journal of Physics: Condensed Matter 30 (19), 195901, 2018 | 288 | 2018 |
Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods S Sorella, M Casula, D Rocca The Journal of chemical physics 127 (1), 2007 | 279 | 2007 |
Correlated geminal wave function for molecules: An efficient resonating valence bond approach M Casula, C Attaccalite, S Sorella The Journal of chemical physics 121 (15), 7110-7126, 2004 | 271 | 2004 |
Beyond the locality approximation in the standard diffusion Monte Carlo method M Casula Physical Review B—Condensed Matter and Materials Physics 74 (16), 161102, 2006 | 258 | 2006 |
Geminal wave functions with Jastrow correlation: A first application to atoms M Casula, S Sorella The Journal of Chemical Physics 119 (13), 6500-6511, 2003 | 239 | 2003 |
Satellites and large doping and temperature dependence of electronic properties in hole-doped BaFe2As2 P Werner, M Casula, T Miyake, F Aryasetiawan, AJ Millis, S Biermann Nature Physics 8 (4), 331-337, 2012 | 219 | 2012 |
Quantum Monte Carlo study of one-dimensional trapped fermions with attractive contact interactions M Casula, DM Ceperley, EJ Mueller Physical Review A—Atomic, Molecular, and Optical Physics 78 (3), 033607, 2008 | 145 | 2008 |
Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited M Casula, S Moroni, S Sorella, C Filippi The Journal of chemical physics 132 (15), 2010 | 135 | 2010 |
Diffusion Monte Carlo method with lattice regularization M Casula, C Filippi, S Sorella Physical review letters 95 (10), 100201, 2005 | 132 | 2005 |
Combined GW and dynamical mean-field theory: Dynamical screening effects in transition metal oxides JM Tomczak, M Casula, T Miyake, F Aryasetiawan, S Biermann Europhysics Letters 100 (6), 67001, 2012 | 130 | 2012 |
Dynamical screening effects in correlated materials: Plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory M Casula, A Rubtsov, S Biermann Physical Review B—Condensed Matter and Materials Physics 85 (3), 035115, 2012 | 116 | 2012 |
Ground state properties of the one-dimensional Coulomb gas using the lattice regularized diffusion Monte Carlo method M Casula, S Sorella, G Senatore Physical Review B—Condensed Matter and Materials Physics 74 (24), 245427, 2006 | 116 | 2006 |
Low-Energy Models for Correlated Materials: Bandwidth Renormalization<? format?> from Coulombic Screening M Casula, P Werner, L Vaugier, F Aryasetiawan, T Miyake, AJ Millis, ... Physical review letters 109 (12), 126408, 2012 | 114 | 2012 |
Asymmetry in band widening and quasiparticle lifetimes in : Competition between screened exchange and local correlations from combined and dynamical … JM Tomczak, M Casula, T Miyake, S Biermann Physical Review B 90 (16), 165138, 2014 | 108 | 2014 |
Density functional theory beyond the linear regime: Validating an adiabatic local density approximation N Helbig, JI Fuks, M Casula, MJ Verstraete, MAL Marques, IV Tokatly, ... Physical Review A—Atomic, Molecular, and Optical Physics 83 (3), 032503, 2011 | 105 | 2011 |
Resonating valence bond wave function with molecular orbitals: Application to first-row molecules M Marchi, S Azadi, M Casula, S Sorella The Journal of Chemical Physics 131 (15), 2009 | 104 | 2009 |
Intercalant and intermolecular phonon assisted superconductivity in K-doped picene M Casula, M Calandra, G Profeta, F Mauri Physical Review Letters 107 (13), 137006, 2011 | 90 | 2011 |
Hexatic and mesoscopic phases in a 2D quantum Coulomb system BK Clark, M Casula, DM Ceperley Physical review letters 103 (5), 055701, 2009 | 88 | 2009 |
Large Temperature Dependence of the Number of Carriers in Co-Doped V Brouet, PH Lin, Y Texier, J Bobroff, A Taleb-Ibrahimi, P Le Fèvre, ... Physical review letters 110 (16), 167002, 2013 | 83 | 2013 |
Dynamical screening in correlated electron systems—from lattice models to realistic materials P Werner, M Casula Journal of Physics: Condensed Matter 28 (38), 383001, 2016 | 75 | 2016 |