Phonon dispersion and Raman scattering in hexagonal GaN and AlN VY Davydov, YE Kitaev, IN Goncharuk, AN Smirnov, J Graul, ...
Physical Review B 58 (19), 12899, 1998
952 1998 Special points of the Brillouin zone and their use in the solid state theory RA Evarestov, VP Smirnov
physica status solidi (b) 119 (1), 9-40, 1983
272 1983 Quantum chemistry of solids: the LCAO first principles treatment of crystals RA Evarestov
Springer Science & Business Media, 2007
267 2007 First-principles calculations of the atomic and electronic structure of J Carrasco, F Illas, N Lopez, EA Kotomin, YF Zhukovskii, RA Evarestov, ...
Physical Review B 73 (6), 064106, 2006
202 2006 Electronic structure and properties of E Ruiz, S Alvarez, P Alemany, RA Evarestov
Physical Review B 56 (12), 7189, 1997
200 1997 Site symmetry in crystals: theory and applications RA Evarestov, VP Smirnov
Springer Science & Business Media, 2012
179 2012 Adsorption of Water on the TiO2 (Rutile) (110) Surface: A Comparison of Periodic and Embedded Cluster Calculations AV Bandura, DG Sykes, V Shapovalov, TN Troung, JD Kubicki, ...
The Journal of Physical Chemistry B 108 (23), 7844-7853, 2004
178 2004 Electronic and magnetic structure of ScMnO3 T Bredow, K Jug, RA Evarestov
physica status solidi (b) 243 (2), R10-R12, 2006
129 2006 First‐principles calculations on the four phases of BaTiO3 RA Evarestov, AV Bandura
Journal of computational chemistry 33 (11), 1123-1130, 2012
120 2012 Modification of the Monkhorst-Pack special points meshes in the Brillouin zone for density functional theory and Hartree-Fock calculations RA Evarestov, VP Smirnov
Physical Review B 70 (23), 233101, 2004
117 2004 First-principles study of bulk and surface oxygen vacancies in SrTiO3 crystal VE Alexandrov, EA Kotomin, J Maier, RA Evarestov
The European Physical Journal B 72, 53-57, 2009
115 2009 Phonon calculations in cubic and tetragonal phases of SrTiO RA Evarestov, E Blokhin, D Gryaznov, EA Kotomin, J Maier
Physical Review B 83 (13), 134108, 2011
113 2011 Comparative density-functional LCAO and plane-wave calculations of RA Evarestov, EA Kotomin, YA Mastrikov, D Gryaznov, E Heifets, J Maier
Physical Review B 72 (21), 214411, 2005
112 2005 Single impurities in insulators: Ab initio study of Fe-doped RA Evarestov, S Piskunov, EA Kotomin, G Borstel
Physical Review B 67 (6), 064101, 2003
107 2003 Large unit cell calculations of solids in the CNDO approximation RA Evarestov, VA Lovchikov
physica status solidi (b) 79 (2), 743-751, 1977
93 1977 Adsorption of water on (0 0 1) surface of SrTiO3 and SrZrO3 cubic perovskites: hybrid HF-DFT LCAO calculations RA Evarestov, AV Bandura, VE Alexandrov
Surface science 601 (8), 1844-1856, 2007
92 2007 A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3 : Emphasis on Phonon Contribution D Gryaznov, E Blokhin, A Sorokine, EA Kotomin, RA Evarestov, ...
The Journal of Physical Chemistry C 117 (27), 13776-13784, 2013
90 2013 Quantum-Chemical Methods in Solid State Theory RA Evarestov
Leningrad: LU, 1982
86 1982 Theoretical modeling of inorganic nanostructures: Symmetry and ab-initio calculations of nanolayers, nanotubes and nanowires RA Evarestov
Springer, 2015
84 2015 Periodic models in quantum chemical simulations of F centers in crystalline metal oxides YF Zhukovskii, EA Kotomin, RA Evarestov, DE Ellis
International Journal of Quantum Chemistry 107 (14), 2956-2985, 2007
76 2007 