Denis Usvyat
TitleCited byYear
Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications
C Pisani, L Maschio, S Casassa, M Halo, M Schütz, D Usvyat
Journal of computational chemistry 29 (13), 2113-2124, 2008
2152008
On the physisorption of water on graphene: a CCSD (T) study
E Voloshina, D Usvyat, M Schütz, Y Dedkov, B Paulus
Phys. Chem. Chem. Phys. 13 (25), 12041-12047, 2011
1532011
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
J Yang, W Hu, D Usvyat, D Matthews, M Schütz, GKL Chan
Science 345 (6197), 640-643, 2014
1512014
Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms
L Maschio, D Usvyat, FR Manby, S Casassa, C Pisani, M Schütz
Physical Review B 76 (7), 075101, 2007
1422007
C ryscor: a program for the post-Hartree–Fock treatment of periodic systems
C Pisani, M Schütz, S Casassa, D Usvyat, L Maschio, M Lorenz, A Erba
Physical Chemistry Chemical Physics 14 (21), 7615-7628, 2012
1262012
Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal
D Usvyat, L Maschio, FR Manby, S Casassa, M Schütz, C Pisani
Physical Review B 76 (7), 075102, 2007
872007
Photonic band-gap structure: From spectroscopy towards visualization
AV Baryshev, AA Kaplyanskii, VA Kosobukin, KB Samusev, DE Usvyat, ...
Physical Review B 70 (11), 113104, 2004
732004
Temperature dependence of infrared-active phonons in CaTiO 3: a combined spectroscopic and first-principles study
V Železný, E Cockayne, J Petzelt, MF Limonov, DE Usvyat, VV Lemanov, ...
Physical Review B 66 (22), 224303, 2002
702002
Periodic local Møller–Plesset second order perturbation theory method applied to molecular crystals: Study of solid NH and CO using extended basis sets
L Maschio, D Usvyat, M Schütz, B Civalleri
The Journal of chemical physics 132, 134706, 2010
682010
Light diffraction from opal-based photonic crystals with growth-induced disorder: Experiment and theory
AV Baryshev, VA Kosobukin, KB Samusev, DE Usvyat, MF Limonov
Physical Review B 73 (20), 205118, 2006
652006
Accurate Condensed Phase Quantum Chemistry
M Schütz, D Usvyat, M Lorenz, C Pisani, L Maschio, S Casassa, M Halo
CRC Press, Boca Raton, Fl (USA), 2010
64*2010
Fitting of local densities in periodic systems
L Maschio, D Usvyat
Physical Review B 78 (7), 073102, 2008
612008
Bragg diffraction of light in synthetic opals
AV Baryshev, AA Kaplyanskii, VA Kosobukin, MF Limonov, KB Samusev, ...
Physics of the Solid State 45 (3), 459-471, 2003
582003
Second Order Local Møller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code
D Usvyat, L Maschio, C Pisani, M Schütz
Zeitschrift für Physikalische Chemie 224 (3-4), 441-454, 2010
552010
Communication: Improved pair approximations in local coupled-cluster methods
M Schwilk, D Usvyat, HJ Werner
The Journal of chemical physics 142 (12), 121102, 2015
512015
Ab initio study of van der Waals and hydrogen-bonded molecular crystals with a periodic local-MP2 method
L Maschio, D Usvyat, B Civalleri
CrystEngComm 12 (8), 2429-2435, 2010
512010
On the use of the Laplace transform in local correlation methods
D Kats, D Usvyat, M Schütz
Phys. Chem. Chem. Phys. 10 (23), 3430-3439, 2008
512008
MP2 versus density-functional theory study of the Compton profiles of crystalline urea
A Erba, C Pisani, S Casassa, L Maschio, M Schütz, D Usvyat
Physical Review B 81 (16), 165108, 2010
452010
Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH
D Usvyat, B Civalleri, L Maschio, R Dovesi, C Pisani, M Schütz
The Journal of chemical physics 134, 214105, 2011
412011
Efficient and accurate treatment of weak pairs in local CCSD (T) calculations. II. Beyond the ring approximation
M Schütz, O Masur, D Usvyat
The Journal of chemical physics 140 (24), 244107, 2014
402014
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Articles 1–20