Research output: Contribution to journal › Article › peer-review
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.
In: Optics and Spectroscopy (English translation of Optika i Spektroskopiya), Vol. 96, No. 2, 01.02.2004, p. 205-216.Research output: Contribution to journal › Article › peer-review
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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