Diatomics-in-molecules potential energy surfaces. II. Nonadiabatic and spin--orbit interactions

Journal Article · Thu Nov 01 04:00:00 EST 1973 · J. Chem. Phys., v. 59, no. 9, pp. 5122-5134

DOI:https://doi.org/10.1063/1.1680731· OSTI ID:4317906

Tully, J C

S>A simple procedure is described for calculating spin-orbit and nonadiabatic interactions by an extension of the diatomics-in-molecules approach. The method can be easily applied to a large number of polyatomic systems and will hopefully be of value in obtaining qualitative and qusantitative descriptions of many important molecular collision processes which involve more than one potential energy surface. Results are presented for two such processes, the quenching of Li(2 /sup 2/P) by H/sub 2/ and the reaction of F atoms with H/sub 2/. (auth)

• Research Organization: Bell Laboratories, Murray Hill, New Jersey 07974
• Sponsoring Organization: USDOE
• NSA Number: NSA-29-022385
• OSTI ID: 4317906
• Journal Information: J. Chem. Phys., v. 59, no. 9, pp. 5122-5134, Journal Name: J. Chem. Phys., v. 59, no. 9, pp. 5122-5134; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

*HYDROGEN-- L-S COUPLING
ENERGY TRANSFER
INTERMOLECULAR FORCES
N60200 --Physics (Atomic & Molecular)--Atomic & Molecular Properties
N60400* --Physics (Atomic & Molecular)--Collision Phenomena
POTENTIAL ENERGY