Fine-structure transitions in the exit channel of K+Ar optical collisions

Figl, Cristina; Großer, J.; Hoffmann, O.; Rebentrost, F.

doi:10.1209/epl/i2004-10364-5

Cited by 2 publications

(1 citation statement)

References 11 publications

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“…These PESs are employed to understand the interaction potentials and the dynamical and energetic properties of the largest clusters [3]. Actually, the PESs determined by the theoretical quantum method can be used to study the optical collision processes [4,5]. In addition, the AE-RG systems can serve to understand the chemical and physical phenomena such as energy transfer, laser media, metal-ligand interaction, and collision cross-sections for such electrical discharges [6][7][8][9].…”

Section: Introductionmentioning

confidence: 99%

Computational study of the electronic structure of the Srm+Kr (m = 0, 1) van der Waals complexes

Slama¹,

Habli²,

Jellali³

et al. 2022

Phys. Scr.

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A computational study of the electronic structure of the SrKr and Sr+Kr molecular systems is presented in this paper. The computational scheme is based on the Full Configuration Interaction (FCI) method and semi-empirical pseudo-potential approach of the atomic core Sr2+ with Gaussian-type-orbital (GTO) basis sets. We have calculated the potential energy surfaces (PESs), spectroscopic parameters, electric dipole moments, and the vibrational levels' spacing for the electronic states of the SrKr molecule and its Sr+Kr ion. The accuracy of the current spectroscopic results is discussed by comparing them tothe available experimental and theoretical data. It is interesting to note that the relevant data of the Sr+Kr molecular ion show significant shapes in the higher 2Σ+ electric states, which allows us to check the intense transition in electric dipole moment and to carry out a diabatic investigation in the future.

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Section: Introductionmentioning

confidence: 99%

Computational study of the electronic structure of the Srm+Kr (m = 0, 1) van der Waals complexes

Slama¹,

Habli²,

Jellali³

et al. 2022

Phys. Scr.

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Nonadiabatic electron dynamics in the exit channel of Na-molecule optical collisions

Rebentrost

Figl

Goldstein

et al. 2008

The Journal of Chemical Physics

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We study optical collisions of Na atoms with N(2), CO, C(2)H(2), and CO(2) molecules in a crossed-beam experiment. Excited electronic states of the collision complex are selectively populated during the collision. We measure the relative population of the Na(3p) fine-structure levels after the collision and observe in this way the nonadiabatic transitions occuring in the final phase of the collision process. For the NaCO, NaC(2)H(2), and NaCO(2) systems new ab initio potential surfaces were generated. The theoretical analysis of the nonadiabatic electron dynamics on the excited potential surfaces is made within the classical-path formalism. The results are in good qualitative agreement with the experimental data and provide insight into the nonadiabatic mechanisms prevailing during the evolution in the upper 3p manifold. The differences between the different collisional systems are related to the presence and system-specific locations of conical intersections and avoided crossing seams in the excited potential surfaces.

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Fine-structure transitions in the exit channel of K+Ar optical collisions

Cited by 2 publications

References 11 publications

Computational study of the electronic structure of the Srm+Kr (m = 0, 1) van der Waals complexes

Computational study of the electronic structure of the Srm+Kr (m = 0, 1) van der Waals complexes

Nonadiabatic electron dynamics in the exit channel of Na-molecule optical collisions

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