HALO, MIGEN
HALO, MIGEN
CHIMICA
A local MP2 periodic study of crystalline Argon
2008-01-01 S. Casassa; M. Halo; L. Maschio
A local-MP2 approach to the ab initio study of electron correlation in crystals and to the simulation of vibrational spectra: the case of Ice XI
2009-01-01 C. Pisani; L. Maschio; S. Casassa; M. Halo; A. Erba
Beyond a Hartree-Fock description of crystalline solids: the case of lithium hydride
2007-01-01 CASASSA S; HALO M; MASCHIO L; ROETTI C; PISANI C
CRYSCOR09
2009-01-01 C. Pisani; M. Schuetz; S. Casassa; L. Maschio; D. Usvyat; M. Halo; A. Erba; M. Lorenz
Density Fitting for correlated calculations in periodic systems
2010-01-01 Martin Schuetz; Denis Usvyat; Marco Lorenz; Cesare Pisani; Lorenzo Maschio; Silvia Casassa; Migen Halo
Electron correlation decides the stability of cubic versus hexagonal boron nitride.
2011-01-01 M. Halo; C. Pisani; L. Maschio; S. Casassa; M. Schütz; D. Usvyat
Experimental and first-principles IR characterization of quercetin adsorbed on a silica surface
2016-01-01 Halo, Migen; Ferrari, Anna Maria; Berlier, Gloria; Miletto, Ivana; Casassa, Silvia Maria
Local MP2 periodic study of rare-gas crystals
2009-01-01 M. Halo; S. Casassa; L. Maschio; C. Pisani
Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN.
2011-01-01 M. Halo; S. Casassa; L. Maschio; C. Pisani; R. Dovesi; D. Ehinon; I. Baraille; M. Rérat; D. Usvyat
Periodic Local MP2 Method for the Study of Electronic Correlation in Crystals: Theory and Preliminary Applications
2008-01-01 C. Pisani; L. Maschio; S. Casassa; M. Halo; M. Schuetz; D. Usvyat
Periodic local-MP2 computational study of crystalline neon
2009-01-01 M. Halo; S. Casassa; L. Maschio; C. Pisani