Research output: Contribution to journal › Article › peer-review
Optical transitions in excited alkali plus rare-gas collision molecules and related interatomic potentials : Li*+He. / Behmenburg, W; Makonnen, A; Kaiser, A; Rebentrost, F; Staemmler, V.; Jungen, M; Peach, G; Devdariani, A; Tserkovnyi, S; Zagrebin, A; Czuchaj, E.
In: Quantum and Semiclassical Optics, Vol. 29, No. 17, 14.09.1996, p. 3891-3910.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Optical transitions in excited alkali plus rare-gas collision molecules and related interatomic potentials
T2 - Li*+He
AU - Behmenburg, W
AU - Makonnen, A
AU - Kaiser, A
AU - Rebentrost, F
AU - Staemmler, V.
AU - Jungen, M
AU - Peach, G
AU - Devdariani, A
AU - Tserkovnyi, S
AU - Zagrebin, A
AU - Czuchaj, E
PY - 1996/9/14
Y1 - 1996/9/14
N2 - A comparison is made of experimental far-wing profiles for the system Li(2P --> 3D)He with quantum calculations of thermally averaged free-free continua. Using input adiabatic potentials and transition moment functions from both ab initio and semi-empirical approaches, the comparison shows: (i) new ab initio potentials for Li*(2P, 3P, 3D)He reproduce the spectral positions of the observed rainbow satellites well; the height of the 3D Sigma barrier predicted agrees with experiment to within +/-15 cm(-1) whereas its position is too large by 0.3 a(0); (ii) potentials obtained with various semi-empirical methods reproduce the satellite structure qualitatively, but are generally too repulsive in the 3D Sigma state at intermediate and large internuclear separations; (iii) transition moment functions for the asymptotically forbidden 2P --> 3P transitions reproduce, with different degrees of accuracy, the intensity of the red-wing satellite related to the 3P Sigma potential extremum around 12 a(0). The vibrational energies in the 2P Pi and 3D Delta states calculated with the nb initio, potentials reproduce to within a few cm(-1) those obtained from rotationally resolved band spectra reported in the literature.
AB - A comparison is made of experimental far-wing profiles for the system Li(2P --> 3D)He with quantum calculations of thermally averaged free-free continua. Using input adiabatic potentials and transition moment functions from both ab initio and semi-empirical approaches, the comparison shows: (i) new ab initio potentials for Li*(2P, 3P, 3D)He reproduce the spectral positions of the observed rainbow satellites well; the height of the 3D Sigma barrier predicted agrees with experiment to within +/-15 cm(-1) whereas its position is too large by 0.3 a(0); (ii) potentials obtained with various semi-empirical methods reproduce the satellite structure qualitatively, but are generally too repulsive in the 3D Sigma state at intermediate and large internuclear separations; (iii) transition moment functions for the asymptotically forbidden 2P --> 3P transitions reproduce, with different degrees of accuracy, the intensity of the red-wing satellite related to the 3P Sigma potential extremum around 12 a(0). The vibrational energies in the 2P Pi and 3D Delta states calculated with the nb initio, potentials reproduce to within a few cm(-1) those obtained from rotationally resolved band spectra reported in the literature.
KW - RYDBERG STATES
KW - HARTREE-FOCK
KW - PSEUDOPOTENTIAL CALCULATIONS
KW - VARIATIONAL CALCULATIONS
KW - LASER SPECTROSCOPY
KW - HE
KW - POTENTIALS
KW - GAS
KW - ATOMS
KW - SCATTERING
U2 - 10.1088/0953-4075/29/17/013
DO - 10.1088/0953-4075/29/17/013
M3 - статья
VL - 29
SP - 3891
EP - 3910
JO - Journal of the European Optical Society Part B: Quantum Optics
JF - Journal of the European Optical Society Part B: Quantum Optics
SN - 0953-4075
IS - 17
ER -
ID: 74054398