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Theoretical calculation of low-lying states of NaAr and NaXePotential curves as well as dipole moments and linking transition moments are calculated for the ground X 2 Sigma + and low lying excited A 2 Pi, B 2 Sigma +, C 2 Sigma +, (4) 2 Sigma +, (2) 2 Pi and (1) 2 Delta states of NaAr and NaXe. Calculations are performed using a self-consistent field plus configuration-interaction procedure with the core electrons replaced by an ab initio effective core potential. The potential curves obtained are found to be considerably less repulsive than the semiempirical curves of Pascale and Vandeplanque (1974) and to agree well with existing experimental data, although the binding energies of those states having potential minima due to van der Waals interactions are underestimated. Emission bands are also calculated for the X 2 Sigma + - C 2 Sigma + excimer transitions of NaAr and NaXe using the calculated transition moments and potential curves, and shown to agree well with experiment on the short-wavelength side of the maximum.
Document ID
19810057300
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Laskowski, B. C.
(NASA Ames Research Center Moffett Field; Surface Analytic Research, Inc., Mountain View, CA, United States)
Langhoff, S. R.
(NASA Ames Research Center Moffett Field, CA, United States)
Stallcop, J. R.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 11, 2013
Publication Date
July 15, 1981
Publication Information
Publication: Journal of Chemical Physics
Volume: 75
Subject Category
Atomic And Molecular Physics
Accession Number
81A41704
Funding Number(s)
CONTRACT_GRANT: NAS2-10595
Distribution Limits
Public
Copyright
Other

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