دنبال کردن
Denis Usvyat
Denis Usvyat
Theoretical Chemistry, Humboldt-University, Berlin
ایمیل تأیید شده در hu-berlin.de - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
2912014
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
2272011
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
1842007
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
1702012
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
932010
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
902016
Communication: Improved pair approximations in local coupled-cluster methods‏
M Schwilk, D Usvyat, HJ Werner‏
The Journal of Chemical Physics 142 (12), 2015‏
892015
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
662010
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
66*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
602003
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
Periodic local MP2 method employing orbital specific virtuals‏
D Usvyat, L Maschio, M Schütz‏
The Journal of Chemical Physics 143 (10), 2015‏
562015
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
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20