First-principles dynamics treatment of light emission in collisions between alkali-metal atoms and noble-gas atoms at 10 keV

Journal Article · Fri Dec 15 04:00:00 EST 2006 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.74.062714· OSTI ID:20976485

Pacheco, Alexander B; Reyes, Andres; Micha, David A ^[1]

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1. Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611-8435 (United States)

Collision-induced light emission during the interaction of an alkali-metal atom and a noble-gas atom is treated within a first-principles, or direct, dynamics approach that calculates a time-dependent electric dipole for the whole system, and spectral emission cross sections from its Fourier transform. These cross sections are very sensitive to excited diatomic potentials and a source of information on their shape. The coupling between electronic transitions and nuclear motions is treated with atomic pseudopotentials and an electronic density matrix coupled to trajectories for the nuclei. A recently implemented pseudopotential parametrization scheme is used here for the ground and excited states of the LiHe system, and to calculate state-to-state dipole moments. To verify the accuracy of our new parameters, we recalculate the integral cross sections for the LiHe system in the keV energy regime and obtain agreement with other results from theory and experiment. We further present results for the emission spectrum from 10 keV Li(2s)+He collisions, and compare them to experimental values available in the region of light emitted at 300-900 nm.

• OSTI ID: 20976485
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 6 Vol. 74; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METALS
ATOM-ATOM COLLISIONS
ATOMS
COUPLING
DENSITY MATRIX
DIPOLE MOMENTS
ELECTRIC DIPOLES
ELECTRIC MOMENTS
EMISSION SPECTRA
EXCITED STATES
FOURIER TRANSFORMATION
GROUND STATES
HELIUM
HELIUM COMPLEXES
INTEGRAL CROSS SECTIONS
KEV RANGE 01-10
LITHIUM
LITHIUM COMPLEXES
LUMINESCENCE
NUCLEI
PHOTON-ATOM COLLISIONS
POTENTIALS
TIME DEPENDENCE
VISIBLE RADIATION