New developments in the ab initio treatment of low energy electron collisions with molecules

Conference · Sun Apr 01 04:00:00 EDT 1990 · AIP Conference Proceedings (American Institute of Physics); (USA)

OSTI ID:6162281

Schneider, B I ^[1]; Rescigno, T N ^[2]; McCurdy, C W ^[3]; Lengsfield, III, B H ^[2]

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1. Theoretical Division T-12, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (USA)
2. Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, CA (USA)
3. Department of Chemistry, The Ohio State University, Columbus, OH (USA)

Although there has been substantial progress in the {ital ab} {ital initio} treatment of low energy electron scattering from small diatomic and polyatomic molecules in the last few years a number of problems still remain. Most current research has focused on the calculation of fixed nuclei scattering amplitudes in the static--exchange (SE) approximation. A few calculations have gone beyond this approximation to include electron correlation and/or vibrational and rotational effects, the latter often within the framework of model or parameterized potentials.

• OSTI ID: 6162281
• Report Number(s): CONF-8907183--
• Conference Information: Journal Name: AIP Conference Proceedings (American Institute of Physics); (USA) Journal Volume: 204:1
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALDEHYDES
AMPLITUDES
COLLISIONS
COMPUTERIZED SIMULATION
DOCUMENT TYPES
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ENERGY LEVELS
EXCITED STATES
FORMALDEHYDE
MOLECULE COLLISIONS
ORGANIC COMPOUNDS
REVIEWS
ROTATIONAL STATES
SCATTERING AMPLITUDES
SIMULATION
VIBRATIONAL STATES