New developments in the ab initio treatment of low energy electron collisions with molecules
Although there has been substantial progress in the ab 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. In this article we review a number of developments which have occurred since the last electron molecule satellite meeting at Daresbury Laboratory in July 1987. Our primary objective shall be to point out the strengths and weaknesses of current computational capabilities and to describe a new approach to electron polyatomic collisions using the complex Kohn method. 30 refs., 1 fig.
- Research Organization:
- Los Alamos National Lab., NM (USA)
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 5694255
- Report Number(s):
- LA-UR-89-2506; CONF-8907135-1; ON: DE89015294
- Country of Publication:
- United States
- Language:
- English
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New developments in the ab initio treatment of low energy electron collisions with molecules
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FEW CENTRE SCATTERING CALCULATIONS. I. PHYSICAL FORMULATIONS OF VARIATIONAL TREATMENTS OF ELECTRONIC EXCITATION OF FEW-CENTRE MOLECULES BY SLOW ELECTRON SCATTERING. Technical Note No. 2
Conference
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Sat Mar 31 23:00:00 EST 1990
· AIP Conference Proceedings (American Institute of Physics); (USA)
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OSTI ID:6162281
Ab initio calculations on collisions of low energy electrons with polyatomic molecules
Conference
·
Thu Aug 01 00:00:00 EDT 1991
·
OSTI ID:5045223
FEW CENTRE SCATTERING CALCULATIONS. I. PHYSICAL FORMULATIONS OF VARIATIONAL TREATMENTS OF ELECTRONIC EXCITATION OF FEW-CENTRE MOLECULES BY SLOW ELECTRON SCATTERING. Technical Note No. 2
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Thu Oct 19 00:00:00 EDT 1961
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OSTI ID:4773817
Related Subjects
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
CORRELATIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ELECTRON CORRELATION
ELECTRON-MOLECULE COLLISIONS
HISTORICAL ASPECTS
MOLECULE COLLISIONS
MOLECULES
POLYATOMIC MOLECULES
SCATTERING
VARIATIONAL METHODS
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
CORRELATIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ELECTRON CORRELATION
ELECTRON-MOLECULE COLLISIONS
HISTORICAL ASPECTS
MOLECULE COLLISIONS
MOLECULES
POLYATOMIC MOLECULES
SCATTERING
VARIATIONAL METHODS