Theoretical Study of the Spectral and Structural Parameters of van der Waals Complexes of the Li+ Cation with the H2, D 2, and T2 Isotopomers of the Hydrogen Molecule

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Theoretical Study of the Spectral and Structural Parameters of van der Waals Complexes of the Li⁺ Cation with the H₂, D ₂, and T₂ Isotopomers of the Hydrogen Molecule. / Bulychev, V. P.; Bulanin, K. M.; Bulanin, M. O.

в: Optics and Spectroscopy (English translation of Optika i Spektroskopiya), Том 96, № 2, 01.02.2004, стр. 205-216.

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

BibTeX

@article{bac48234140a4c58a1b02c302c53e952,

title = "Theoretical Study of the Spectral and Structural Parameters of van der Waals Complexes of the Li+ Cation with the H2, D 2, and T2 Isotopomers of the Hydrogen Molecule",

abstract = "The three-dimensional vibrational problem for the isolated binary complexes formed by the Li+cation with all the isotopomers of the hydrogen molecule is solved by the variational method using sufficiently exact nonempirical adiabatic surfaces of the potential energy and the dipole moment. Information on the large-amplitude vibrations was obtained for the first time, and the anharmonic effects caused by the interaction of the different internal degrees of freedom in these weakly bound van der Waals complexes were consistently taken into account. The frequencies and intensities of many spectral transitions are determined, and the average values of geometrical parameters and the dipole moment are calculated for the ground and excited vibrational states.",

author = "Bulychev, {V. P.} and Bulanin, {K. M.} and Bulanin, {M. O.}",

year = "2004",

month = feb,

day = "1",

doi = "10.1134/1.1651245",

language = "English",

volume = "96",

pages = "205--216",

journal = "OPTICS AND SPECTROSCOPY",

issn = "0030-400X",

publisher = "Pleiades Publishing",

number = "2",

}

RIS

TY - JOUR

T1 - Theoretical Study of the Spectral and Structural Parameters of van der Waals Complexes of the Li+ Cation with the H2, D 2, and T2 Isotopomers of the Hydrogen Molecule

AU - Bulychev, V. P.

AU - Bulanin, K. M.

AU - Bulanin, M. O.

PY - 2004/2/1

Y1 - 2004/2/1

N2 - The three-dimensional vibrational problem for the isolated binary complexes formed by the Li+cation with all the isotopomers of the hydrogen molecule is solved by the variational method using sufficiently exact nonempirical adiabatic surfaces of the potential energy and the dipole moment. Information on the large-amplitude vibrations was obtained for the first time, and the anharmonic effects caused by the interaction of the different internal degrees of freedom in these weakly bound van der Waals complexes were consistently taken into account. The frequencies and intensities of many spectral transitions are determined, and the average values of geometrical parameters and the dipole moment are calculated for the ground and excited vibrational states.

AB - The three-dimensional vibrational problem for the isolated binary complexes formed by the Li+cation with all the isotopomers of the hydrogen molecule is solved by the variational method using sufficiently exact nonempirical adiabatic surfaces of the potential energy and the dipole moment. Information on the large-amplitude vibrations was obtained for the first time, and the anharmonic effects caused by the interaction of the different internal degrees of freedom in these weakly bound van der Waals complexes were consistently taken into account. The frequencies and intensities of many spectral transitions are determined, and the average values of geometrical parameters and the dipole moment are calculated for the ground and excited vibrational states.

UR - http://www.scopus.com/inward/record.url?scp=1942532928&partnerID=8YFLogxK

U2 - 10.1134/1.1651245

DO - 10.1134/1.1651245

M3 - Article

AN - SCOPUS:1942532928

VL - 96

SP - 205

EP - 216

JO - OPTICS AND SPECTROSCOPY

JF - OPTICS AND SPECTROSCOPY

SN - 0030-400X

IS - 2

ER -

ID: 36685770