Published November 1981
| Version v1
Journal article
Linear-algebraic approach to electron-molecule collisions: General formulation
Creators
- 1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
Description
We present a linear-algebraic approach to electron-molecule collisions based on an integral equations form with either logarithmic or asymptotic boundary conditions. The introduction of exchange effects does not alter the basic form or order of the linear-algebraic equations for a local potential. In addition to the standard procedure of directly evaluating the exchange integrals by numerical quadrature, we also incorporate exchange effects through a separable-potential approximation. Efficient schemes are developed for reducing the number of points and channels that must be included. The method is applied at the static-exchange level to a number of molecular systems including H2, N2, LiH, and CO2
Additional details
Publishing Information
- Journal Title
- Phys. Rev., A
- Journal Volume
- 24
- Journal Issue
- 5
- Series
- Phys. Rev., A.
- Journal Page Range
- 2387-2401
- ISSN
- 0556-2791
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 13651611
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ALGEBRA; BOUNDARY CONDITIONS; CARBON DIOXIDE; DIFFERENTIAL EQUATIONS; ELASTIC SCATTERING; ELECTRON-MOLECULE COLLISIONS; EXCHANGE INTERACTIONS; HYDROGEN; INTEGRAL EQUATIONS; LITHIUM HYDRIDES; NITROGEN; POTENTIALS; WAVE FUNCTIONS
- Descriptors DEC
- ALKALI METAL COMPOUNDS; CARBON COMPOUNDS; CARBON OXIDES; CHALCOGENIDES; COLLISIONS; ELECTRON COLLISIONS; ELEMENTS; EQUATIONS; FUNCTIONS; HYDRIDES; HYDROGEN COMPOUNDS; INTERACTIONS; LITHIUM COMPOUNDS; MATHEMATICS; MOLECULE COLLISIONS; NONMETALS; OXIDES; OXYGEN COMPOUNDS; SCATTERING