Linear-algebraic approach to electron-molecule collisions: General formulation

Journal Article · Sun Nov 01 04:00:00 EST 1981 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.24.2387· OSTI ID:6072677

Collins, L A; Schneider, B I

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 H/sub 2/, N/sub 2/, LiH, and CO/sub 2/.

• Research Organization: Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
• OSTI ID: 6072677
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 24:5; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALGEBRA
ALKALI METAL COMPOUNDS
BOUNDARY CONDITIONS
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
COLLISIONS
DIFFERENTIAL EQUATIONS
ELASTIC SCATTERING
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
EQUATIONS
EXCHANGE INTERACTIONS
FUNCTIONS
HYDRIDES
HYDROGEN
HYDROGEN COMPOUNDS
INTEGRAL EQUATIONS
INTERACTIONS
LITHIUM COMPOUNDS
LITHIUM HYDRIDES
MATHEMATICS
MOLECULE COLLISIONS
NITROGEN
NONMETALS
OXIDES
OXYGEN COMPOUNDS
POTENTIALS
SCATTERING
WAVE FUNCTIONS