Collisions of electrons with polyatomic molecules: Electron-methane scattering by the complex Kohn variational method

Journal Article · Mon May 01 04:00:00 EDT 1989 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.39.4487· OSTI ID:6320680

McCurdy, C W; Rescigno, T N

The complex Kohn variational method, which is an anomaly-free algebraic variational procedure, is implemented for the case of collisions of electrons with polyatomic molecules. The complex Kohn method requires only Hamiltonian matrix elements and, in this formulation, does not require any exchange matrix elements involving continuum functions. Direct matrix elements of the scattering potential(s) which involve continuum functions are evaluated by an adaptive three-dimensional quadrature scheme. The entire procedure is applied to elastic electron-methane scattering at the static-exchange level and proves to be both efficient and accurate. No Ramsauer-Townsend minimum is found at low energies, and it is concluded that this feature of the experimental cross section cannot be described theoretically without the inclusion of target polarization.

• Research Organization: Department of Chemistry, Ohio State University, Columbus, Ohio 43210
• OSTI ID: 6320680
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 39:9; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALKANES
CENTRAL POTENTIAL
COLLISIONS
CROSS SECTIONS
ELASTIC SCATTERING
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
HYDROCARBONS
METHANE
MOLECULE COLLISIONS
ORGANIC COMPOUNDS
POTENTIAL SCATTERING
POTENTIALS
SCATTERING
VARIATIONAL METHODS