MULTICONFIGURATION SELF-CONSISTENT-FIELD QUADRATIC RESPONSE CALCULATIONS OF THE 2-PHOTON TRANSITION-PROBABILITY RATE CONSTANTS FOR ARGON

Citation
D. Sundholm et al., MULTICONFIGURATION SELF-CONSISTENT-FIELD QUADRATIC RESPONSE CALCULATIONS OF THE 2-PHOTON TRANSITION-PROBABILITY RATE CONSTANTS FOR ARGON, The Journal of chemical physics, 101(6), 1994, pp. 4931-4935
Citations number
29
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
101
Issue
6
Year of publication
1994
Pages
4931 - 4935
Database
ISI
SICI code
0021-9606(1994)101:6<4931:MSQRC>2.0.ZU;2-N
Abstract
The two-photon transition probability rate constant for the transition from the ground state (S-1(e)) to the D-1(e) excited state of argon h as been calculated by the means of multiconfiguration self-consistent field quadratic response methods. The rate constant for the D-1(e) tra nsition in the Hartree-Fock approximation is 0.119x10(-50) cm(4) s, wh ile in the multiconfiguration Hartree-Fock calculation it is 0.191x10( -50) cm(4) s. The calculated rate constant is in an excellent agreemen t with the experimental rate constant of 0.205x10(-50) cm(4) s obtaine d as the sum of the rate constants for the transitions to the spin-orb it mixed 3p(5)4p[3/2](J=2) (D-1(e)), 3p(5)4p[5/2](J=2) (D-3(e)), and 3 p(5)4p'[3/2](J=2) ((3)p(e)) states.