Potential energies for Ca/sub 2//sup ts+/: Cross sections for collisions of Ca/sup +/ and Rydberg Ca/sup asteriskasterisk/ with Ca

Journal Article · Fri Dec 01 04:00:00 EST 1978 · Phys. Rev., A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.18.2498· OSTI ID:6587571

Liu, B; Olson, R E

Ab initio self-consistent-field (SCF) and configuration interaction (CI) calculations have yielded potential energy curves for the lowest /sup 2/..sigma../sup +//sub u/ and /sup 2/..sigma../sup +//sub g/ states of Ca/sub 2//sup ts+/. The best CI calculation yields the following parameters for the /sup 2/..sigma../sup +//sub u/ state: D/sub e/ = 1.04 eV, R/sub e/ = 7.55a/sub 0/, ..omega../sub e/ = 119 cm/sup -1/, and B/sub e/ = 0.0526 cm/sup -1/. The long-range regions of the /sup 2/..sigma../sup +//sub u/ and /sup 2/..sigma../sup +//sub g/ potential curves are both characterized by a Ca dipole polarizability of 170.4a/sup 3//sub 0/, in good agreement with the experimental value of (169 +- 17) a/sup 3//sub 0/. The charge-transfer total cross sections have been calculated over the energy range E/sub cm/ = 10--10 000 eV and are well reproduced by the functional form Q/sup 1/2/(A) = 15.67 - 3.276 log/sub 10/ E/sub cm/ (eV). The elastic differential-scattering rainbow angle is predicted to be located at Etheta/sub R/ approx. = 90 eV deg. Collisional-ionization cross sections and rates were also estimated for Rydberg-atom Ca** + ground-state Ca collisions. The reaction rates are predicted to be on the order of 10/sup -10/ cm/sup 3//sec and depend linearly on the principal quantum number n of the Rydberg atom.

• Research Organization: IBM Research Laboratory, Monterey and Cottle Roads, San Jose, California 95197
• OSTI ID: 6587571
• Journal Information: Phys. Rev., A; (United States), Journal Name: Phys. Rev., A; (United States) Vol. 18:6; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALKALINE EARTH METALS
ATOM COLLISIONS
ATOMIC IONS
CALCIUM
CALCIUM IONS
CHARGE EXCHANGE
CHARGED PARTICLES
COLLISIONS
CROSS SECTIONS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
INTERATOMIC FORCES
ION COLLISIONS
ION-ATOM COLLISIONS
IONS
METALS
MOLECULAR IONS