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Influence of semiempirical long-range dispersion corrections of the density functional in the study of phase transitions in molecular crystals. / Roginskii, E.M.; Markov, Y.F.; Smirnov, M.B.

In: Physics of the Solid State, No. 3, 2015, p. 467-471.

Research output: Contribution to journal › Article

Harvard

Roginskii, EM, Markov, YF & Smirnov, MB 2015, 'Influence of semiempirical long-range dispersion corrections of the density functional in the study of phase transitions in molecular crystals', Physics of the Solid State, no. 3, pp. 467-471. https://doi.org/10.1134/S1063783415030257

APA

Roginskii, E. M., Markov, Y. F., & Smirnov, M. B. (2015). Influence of semiempirical long-range dispersion corrections of the density functional in the study of phase transitions in molecular crystals. Physics of the Solid State, (3), 467-471. https://doi.org/10.1134/S1063783415030257

Vancouver

Roginskii EM, Markov YF, Smirnov MB. Influence of semiempirical long-range dispersion corrections of the density functional in the study of phase transitions in molecular crystals. Physics of the Solid State. 2015;(3):467-471. https://doi.org/10.1134/S1063783415030257

Author

Roginskii, E.M. ; Markov, Y.F. ; Smirnov, M.B. / Influence of semiempirical long-range dispersion corrections of the density functional in the study of phase transitions in molecular crystals. In: Physics of the Solid State. 2015 ; No. 3. pp. 467-471.

BibTeX

@article{84b8c942afae4adfb9a2a22e6189a012,
title = "Influence of semiempirical long-range dispersion corrections of the density functional in the study of phase transitions in molecular crystals",
abstract = "{\textcopyright} 2015, Pleiades Publishing, Ltd.The influence of empirical dispersion corrections of the density functional has been investigated when calculating the electronic structure of molecular crystals undergoing structural phase transitions. A phonon spectrum of calomel and benzyl crystals has been calculated, dispersion dependences of optical and acoustic phonons have been constructed, and the phase transition model in calomel crystals has been studied.",
author = "E.M. Roginskii and Y.F. Markov and M.B. Smirnov",
year = "2015",
doi = "10.1134/S1063783415030257",
language = "English",
pages = "467--471",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "3",

}

RIS

TY - JOUR

T1 - Influence of semiempirical long-range dispersion corrections of the density functional in the study of phase transitions in molecular crystals

AU - Roginskii, E.M.

AU - Markov, Y.F.

AU - Smirnov, M.B.

PY - 2015

Y1 - 2015

N2 - © 2015, Pleiades Publishing, Ltd.The influence of empirical dispersion corrections of the density functional has been investigated when calculating the electronic structure of molecular crystals undergoing structural phase transitions. A phonon spectrum of calomel and benzyl crystals has been calculated, dispersion dependences of optical and acoustic phonons have been constructed, and the phase transition model in calomel crystals has been studied.

AB - © 2015, Pleiades Publishing, Ltd.The influence of empirical dispersion corrections of the density functional has been investigated when calculating the electronic structure of molecular crystals undergoing structural phase transitions. A phonon spectrum of calomel and benzyl crystals has been calculated, dispersion dependences of optical and acoustic phonons have been constructed, and the phase transition model in calomel crystals has been studied.

U2 - 10.1134/S1063783415030257

DO - 10.1134/S1063783415030257

M3 - Article

SP - 467

EP - 471

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 3

ER -

ID: 4013456