R. A. Évarestov

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• Electronic properties and phase transitions of ACa2Nb3O10 (A = K, Rb): experimental study and quantum chemical calculations2026
• Structure and polarizability of irregular helical oligomers (C60)n with n up to 172026
• Polarizability of oligomers and quasi-1D polymers of fullerene C70: Bridging molecular and periodic paradigms2026
• Ultrathin selenium nanorods from helical phases: a quantum chemical study using line group theory2025
• Computational design of helical artificial metallopeptides: from sequence to activity in Pd-peptide systems2025
• First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of Sr Ti O 32006
• Modification of the Monkhorst-Pack special points meshes in the Brillouin zone for density functional theory and Hartree-Fock calculations2004 · аннотациясвернуть

  Modified Monkhorst-Pack (MMP) special points meshes for Brillouin zone integration are proposed for cubic crystals. The MMP meshes suggested ensure the higher precision of k-points summation and faster and…

• Phonon dispersion and Raman scattering in hexagonal GaN and AlN1998 · аннотациясвернуть

  We present the results of room- and low-temperature measurements of second-order Raman scattering for perfect GaN and AlN crystals as well as the Raman-scattering data for strongly disordered samples. A complete…