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
986 1998 Quantum chemistry of solids: the LCAO first principles treatment of crystals RA Evarestov
Springer Science & Business Media, 2007
272 2007 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
269 1983 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—Condensed Matter and Materials Physics 73 (6), 064106, 2006
209 2006 Electronic structure and properties of E Ruiz, S Alvarez, P Alemany, RA Evarestov
Physical Review B 56 (12), 7189, 1997
209 1997 Site symmetry in crystals: theory and applications RA Evarestov, VP Smirnov
Springer Science & Business Media, 2012
188 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
182 2004 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—Condensed Matter and Materials Physics 70 (23), 233101, 2004
156 2004 First‐principles calculations on the four phases of BaTiO3 RA Evarestov, AV Bandura
Journal of computational chemistry 33 (11), 1123-1130, 2012
141 2012 Electronic and magnetic structure of ScMnO3 T Bredow, K Jug, RA Evarestov
physica status solidi (b) 243 (2), R10-R12, 2006
133 2006 Phonon calculations in cubic and tetragonal phases of SrTiO RA Evarestov, E Blokhin, D Gryaznov, EA Kotomin, J Maier
Physical Review B—Condensed Matter and Materials Physics 83 (13), 134108, 2011
125 2011 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
120 2009 Comparative density-functional LCAO and plane-wave calculations of RA Evarestov, EA Kotomin, YA Mastrikov, D Gryaznov, E Heifets, J Maier
Physical Review B—Condensed Matter and Materials Physics 72 (21), 214411, 2005
114 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
111 2003 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
96 2007 Theoretical modeling of inorganic nanostructures: Symmetry and ab-initio calculations of nanolayers, nanotubes and nanowires RA Evarestov
Springer, 2015
95 2015 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
95 2013 Large unit cell calculations of solids in the CNDO approximation RA Evarestov, VA Lovchikov
physica status solidi (b) 79 (2), 743-751, 1977
94 1977 Quantum-Chemical Methods in Solid State Theory RA Evarestov
Leningrad: LU, 1982
87 1982 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
78 2007 