Lorenzo Maschio

发表

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

Cesare Pisani, Lorenzo Maschio, Silvia Casassa, 2008, J. Comput. Chem..

Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4

Roberto Dovesi, Roberto Orlando, Marco De La Pierre, 2011, J. Comput. Chem..

Electron correlation at the MgF2(110) surface: a comparison of incremental and local correlation methods.

Beate Paulus, Lorenzo Maschio, Carsten Müller, 2015, Journal of chemical theory and computation.

Benchmarking dispersion and geometrical counterpoise corrections for cost‐effective large‐scale DFT calculations of water adsorption on graphene

Bartolomeo Civalleri, Daniele Pullini, Mauro Sgroi, 2014, Journal of Computational Chemistry.

Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH.

Bartolomeo Civalleri, Roberto Dovesi, Cesare Pisani, 2011, The Journal of chemical physics.

Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach.

Giuseppe Sansone, Lorenzo Maschio, Denis Usvyat, 2016, The journal of physical chemistry letters.

CRYSCOR: a program for the post-Hartree-Fock treatment of periodic systems.

Cesare Pisani, Lorenzo Maschio, Silvia Casassa, 2012, Physical chemistry chemical physics : PCCP.

Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms

Frederick R. Manby, Cesare Pisani, Lorenzo Maschio, 2007 .

Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids.

Lorenzo Maschio, Denis Usvyat, Martin Schütz, 2012, The Journal of chemical physics.

Quantum‐mechanical condensed matter simulations with CRYSTAL

Bartolomeo Civalleri, Roberto Dovesi, Roberto Orlando, 2018 .

On the Prospective Use of the One-Electron Density Matrix as a Test of the Quality of Post-Hartree–Fock Schemes for Crystals

Cesare Pisani, Lorenzo Maschio, Silvia Casassa, 2006 .

Beyond a Hartree–Fock description of crystalline solids: the case of lithium hydride

Cesare Pisani, Lorenzo Maschio, Silvia Casassa, 2007 .

Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term.

Bartolomeo Civalleri, Lorenzo Maschio, Piero Ugliengo, 2010, Physical chemistry chemical physics : PCCP.

Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal

Frederick R. Manby, Cesare Pisani, Lorenzo Maschio, 2007 .

Periodic local MP2 method employing orbital specific virtuals.

Lorenzo Maschio, Denis Usvyat, Martin Schütz, 2015, The Journal of chemical physics.

Local MP2 with Density Fitting for Periodic Systems: A Parallel Implementation.

Lorenzo Maschio, L. Maschio, 2011, Journal of chemical theory and computation.