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Denis Usvyat
Tytuł
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Cytowane przez
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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
2942014
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
2852008
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
2282011
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
1862007
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
1712012
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
1102007
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
942010
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
892016
Communication: Improved pair approximations in local coupled-cluster methods
M Schwilk, D Usvyat, HJ Werner
The Journal of Chemical Physics 142 (12), 2015
882015
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
862002
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
822004
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
802008
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—Condensed Matter and Materials Physics 73 (20), 205118, 2006
752006
Fitting of local densities in periodic systems
L Maschio, D Usvyat
Physical Review B 78 (7), 073102, 2008
742008
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
682010
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
65*2010
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
Periodic local MP2 method employing orbital specific virtuals
D Usvyat, L Maschio, M Schütz
The Journal of Chemical Physics 143 (10), 2015
572015
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
572010
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
562013
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