Standard

Calculation of vibrations of the H-bonds and electrooptical parameters of the F(HF)2]− complex. / Bulychev, V. P.; Denisov, G. S.; Limbach, H. H.; Shukaǐlov, R. M.

в: Optics and Spectroscopy (English translation of Optika i Spektroskopiya), Том 90, № 3, 01.03.2001, стр. 356-361.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Bulychev, VP, Denisov, GS, Limbach, HH & Shukaǐlov, RM 2001, 'Calculation of vibrations of the H-bonds and electrooptical parameters of the F(HF)2]− complex', Optics and Spectroscopy (English translation of Optika i Spektroskopiya), Том. 90, № 3, стр. 356-361. https://doi.org/10.1134/1.1358441

APA

Bulychev, V. P., Denisov, G. S., Limbach, H. H., & Shukaǐlov, R. M. (2001). Calculation of vibrations of the H-bonds and electrooptical parameters of the F(HF)2]− complex. Optics and Spectroscopy (English translation of Optika i Spektroskopiya), 90(3), 356-361. https://doi.org/10.1134/1.1358441

Vancouver

Bulychev VP, Denisov GS, Limbach HH, Shukaǐlov RM. Calculation of vibrations of the H-bonds and electrooptical parameters of the F(HF)2]− complex. Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 2001 Март 1;90(3):356-361. https://doi.org/10.1134/1.1358441

Author

Bulychev, V. P. ; Denisov, G. S. ; Limbach, H. H. ; Shukaǐlov, R. M. / Calculation of vibrations of the H-bonds and electrooptical parameters of the F(HF)2]− complex. в: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 2001 ; Том 90, № 3. стр. 356-361.

BibTeX

@article{208a0714f9fc401da7ef09f98a92a827,
title = "Calculation of vibrations of the H-bonds and electrooptical parameters of the F(HF)2]− complex",
abstract = "The problem of calculating the vibrations of the [F(HF)2] - complex with hydrogen bonds is considered with allowance for the anharmonicity and interaction of motions in different degrees of freedom. A systematic solution of this problem is proposed which consists in separating the total vibrational system into subsystems, obtaining sufficiently exact vibrational wave functions of subsystems, and expanding the vibrational wave functions of the total system in basis functions constructed from the wave functions of subsystems. At the first stage of our study, the stretching and bending modes of two F.. .HF hydrogen bonds are considered with the use of an exact kinetic energy operator and a nonempirical three-dimensional potential energy surface. It is shown that these vibrational modes of the complex are characterized by significant mechanical and electric anharmonicities. The calculated values of frequencies of the symmetric and antisymmetric vibrations of hydrogen bonds are in good agreement with the experimental findings. {\textcopyright} 2001 MAIK {"}Nauka/Interperiodica{"}.",
author = "Bulychev, {V. P.} and Denisov, {G. S.} and Limbach, {H. H.} and Shukaǐlov, {R. M.}",
year = "2001",
month = mar,
day = "1",
doi = "10.1134/1.1358441",
language = "English",
volume = "90",
pages = "356--361",
journal = "OPTICS AND SPECTROSCOPY",
issn = "0030-400X",
publisher = "Pleiades Publishing",
number = "3",

}

RIS

TY - JOUR

T1 - Calculation of vibrations of the H-bonds and electrooptical parameters of the F(HF)2]− complex

AU - Bulychev, V. P.

AU - Denisov, G. S.

AU - Limbach, H. H.

AU - Shukaǐlov, R. M.

PY - 2001/3/1

Y1 - 2001/3/1

N2 - The problem of calculating the vibrations of the [F(HF)2] - complex with hydrogen bonds is considered with allowance for the anharmonicity and interaction of motions in different degrees of freedom. A systematic solution of this problem is proposed which consists in separating the total vibrational system into subsystems, obtaining sufficiently exact vibrational wave functions of subsystems, and expanding the vibrational wave functions of the total system in basis functions constructed from the wave functions of subsystems. At the first stage of our study, the stretching and bending modes of two F.. .HF hydrogen bonds are considered with the use of an exact kinetic energy operator and a nonempirical three-dimensional potential energy surface. It is shown that these vibrational modes of the complex are characterized by significant mechanical and electric anharmonicities. The calculated values of frequencies of the symmetric and antisymmetric vibrations of hydrogen bonds are in good agreement with the experimental findings. © 2001 MAIK "Nauka/Interperiodica".

AB - The problem of calculating the vibrations of the [F(HF)2] - complex with hydrogen bonds is considered with allowance for the anharmonicity and interaction of motions in different degrees of freedom. A systematic solution of this problem is proposed which consists in separating the total vibrational system into subsystems, obtaining sufficiently exact vibrational wave functions of subsystems, and expanding the vibrational wave functions of the total system in basis functions constructed from the wave functions of subsystems. At the first stage of our study, the stretching and bending modes of two F.. .HF hydrogen bonds are considered with the use of an exact kinetic energy operator and a nonempirical three-dimensional potential energy surface. It is shown that these vibrational modes of the complex are characterized by significant mechanical and electric anharmonicities. The calculated values of frequencies of the symmetric and antisymmetric vibrations of hydrogen bonds are in good agreement with the experimental findings. © 2001 MAIK "Nauka/Interperiodica".

UR - http://www.scopus.com/inward/record.url?scp=0011265528&partnerID=8YFLogxK

U2 - 10.1134/1.1358441

DO - 10.1134/1.1358441

M3 - Article

AN - SCOPUS:0011265528

VL - 90

SP - 356

EP - 361

JO - OPTICS AND SPECTROSCOPY

JF - OPTICS AND SPECTROSCOPY

SN - 0030-400X

IS - 3

ER -

ID: 108623359