Denis Usvyat

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Martin SchützProfessor of Theoretical Chemistry, University of RegensburgAdresse e-mail validée de chemie.uni-regensburg.de
Lorenzo MaschioUniversità di TorinoAdresse e-mail validée de unito.it
Mikhail LimonovIoffe Institute; ITMO UniversityAdresse e-mail validée de metalab.ifmo.ru
Daniel KatsMax Planck Institute for Solid State Research, StuttgartAdresse e-mail validée de fkf.mpg.de
Antti J. KarttunenAssociate Professor, Inorganic Materials Chemistry, Aalto UniversityAdresse e-mail validée de aalto.fi
Bartolomeo CivalleriUniversity of Torino - Department of ChemistryAdresse e-mail validée de unito.it
Joachim SauerProfessor of Chemistry, Humboldt-University, BerlinAdresse e-mail validée de chemie.hu-berlin.de
Nicholas HarrisonImperial College LondonAdresse e-mail validée de imperial.ac.uk
Giuseppe MalliaImperial College LondonAdresse e-mail validée de imperial.ac.uk
Ruth Martinez CasadoUniversidad Complutense de MadridAdresse e-mail validée de ucm.es
Alessandro ErbaAssociate Professor, Theoretical Chemistry Group, Department of Chemistry, University of TorinoAdresse e-mail validée de unito.it
Mauricio J PrietoFritz-Haber-Institut der Max-Planck-GesellschaftAdresse e-mail validée de fhi-berlin.mpg.de
Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyAdresse e-mail validée de caltech.edu
Jun YangThe University of Hong KongAdresse e-mail validée de hku.hk
Devin MatthewsSouthern Methodist UniversityAdresse e-mail validée de smu.edu
Hans-Joachim FreundProfessor, Fritz-Haber-InstitutAdresse e-mail validée de fhi-berlin.mpg.de
Angelos MichaelidesUniversity of CambridgeAdresse e-mail validée de cam.ac.uk
Markus HeydeFritz-Haber-Institute of the Max-Planck-SocietyAdresse e-mail validée de fhi-berlin.mpg.de
Adrián Leandro LewandowskiSIEMENS AGAdresse e-mail validée de siemens.com
George BoothKing's College LondonAdresse e-mail validée de kcl.ac.uk

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Denis Usvyat

Theoretical Chemistry, Humboldt-University, Berlin

Adresse e-mail validée de hu-berlin.de - Page d'accueil

quantum chemistry solid state physics local correlation methods van der Waals


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	294	2014
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	285	2008
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	228	2011
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	186	2007
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	172	2012
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	110	2007
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	94	2010
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	90	2016
Communication: Improved pair approximations in local coupled-cluster methods M Schwilk, D Usvyat, HJ Werner The Journal of Chemical Physics 142 (12), 2015	88	2015
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	86	2002
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	82	2004
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	80	2008
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	75	2006
Fitting of local densities in periodic systems L Maschio, D Usvyat Physical Review B 78 (7), 073102, 2008	74	2008
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	68	2010
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	59	2003
Periodic local MP2 method employing orbital specific virtuals D Usvyat, L Maschio, M Schütz The Journal of Chemical Physics 143 (10), 2015	57	2015
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	57	2010
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	56	2013

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