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Denis Usvyat
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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
2782008
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
2772014
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
2182011
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
1832007
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
1652012
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
1092007
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
922010
Temperature dependence of infrared-active phonons in 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
822002
Toward an accurate estimate of the exfoliation energy of black phosphorus: a periodic quantum chemical approach
G Sansone, L Maschio, D Usvyat, M Schütz, A Karttunen
The journal of physical chemistry letters 7 (1), 131-136, 2016
812016
Communication: Improved pair approximations in local coupled-cluster methods
M Schwilk, D Usvyat, HJ Werner
The Journal of Chemical Physics 142 (12), 2015
812015
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
792004
Fitting of local densities in periodic systems
L Maschio, D Usvyat
Physical Review B 78 (7), 073102, 2008
742008
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
732008
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
722006
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
70*2010
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
672010
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
592003
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
562010
Incrementally corrected periodic local MP2 calculations: I. The cohesive energy of molecular crystals
C Müller, D Usvyat
Journal of Chemical Theory and Computation 9 (12), 5590-5598, 2013
552013
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
542011
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