β Scribed by Michael T. Bowers; William E. Palke; Kathleen Robins; Coleen Roehl; Sherrie Walsh
No coin nor oath required. For personal study only.
New ab initio calculations are reported that indicate Art is a linear, asymmetric, C, molecule with equilibrium bond lengths R, ~2.47 A and R2= 2.73 A. The potential energy surface is very shallow along the asymmetric stretch coordinate indicating excursions of the least bound argon atom of 0.5 to 0.7 A in the vibrational ground state. These calculations indicate Ar: is essentially an A$ ,Ar cluster and support the interpretation of DeLuca and Johnson on the origin of the UV (300 nm ) and visible (550 nm) photodissociation bands. New data are provided on the photodissociation dynamics as well, and implication of these data on the detailed dynamics discussed.
π SIMILAR VOLUMES
Extended basis set CI calculations were performed to contribute to the discussion concerning the equilibrium ground state nuclear configuration of the Ar: cluster. A relativistic pseudopotential was used to describe the Ar core and only the valence electrons were treated explicitly in the calculatio
A quantum/classical hybrid model is developed for the photodissociation and recombination dynamics of an 12 molecule in low temperature matrix Ar. This simplified model consists of an 12 molecule embedded in a linear chain of Ar atoms. The dynamics of 12 on its A state is treated quantum mechanicall