Potential Energy Surfaces of M+NG, M = K, RB, CS and NG = he, NE, AR

Details Potential Energy Surfaces of M+NG, M = K, RB, CS and NG = he, NE, AR Potential Energy Surfaces of M+NG, M = K, RB, CS and NG = he, NE, AR

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..conferi03b&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Computer Science

Theory

Scientific paper

Pressure broadening (PB) plays an important role in the operation of optically pumped alkali lasers (OPAL) by broadening the absorption features of the alkali metal via a perturbing noble gas. While sophisticated PB models exist, they require a knowledge of the interaction potentials involved to become predictive. As a first step toward studying the PB at work in OPAL systems, ab initio potential energy surfaces have been generated for a series of combinations of alkali metals (K, Rb, and Cs) and noble gas atoms (He, Ne, and Ar) which potentially may comprise such systems. These surfaces include the ground state X^2Σ1/2^+, as well as the excited states A^2Π1/2, A^2Π3/2, and B^2Σ^+1/2. They are calculated using the multi-configurational singles and doubles configuration interaction method, including the spin-orbit interaction through the use of two-component pseudopotentials, implemented in the COLUMBUS suite of molecular structure programs. Where possible, results are compared to both experimentally measured and previous theoretical predictions of spectroscopic constants as well as experimentally determined vibrational energy levels.

Affiliated with

Also associated with

No associations

Rating

Potential Energy Surfaces of M+NG, M = K, RB, CS and NG = he, NE, AR does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Potential Energy Surfaces of M+NG, M = K, RB, CS and NG = he, NE, AR, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Potential Energy Surfaces of M+NG, M = K, RB, CS and NG = he, NE, AR will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1000630