Discrete-basis-set approach to the minimum-variance method in electron scattering

Journal Article · Fri Jul 01 00:00:00 EDT 1977 · Phys. Rev., A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.16.157· OSTI ID:7218479

Levin, D A; Rescigno, T N; McKoy, V

We show that the minimization of the variance integral provides a method for the determination of scattering wave functions which uses discrete basis functions exclusively. By using a separable representation of the scattering potential only one new class of matrix elements appears in the evaluation of the variance integral which is not already required in the diagonalization of the Hamiltonian. The choice of Gaussian basis functions for the expansion of the scattering wave function should make the method particularly applicable to electron-molecule scattering. Some advantages and limitations of the method are discussed.

• Research Organization: Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125
• OSTI ID: 7218479
• Journal Information: Phys. Rev., A; (United States), Vol. 16:1
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ELECTRON-ATOM COLLISIONS
WAVE FUNCTIONS
ELECTRON-MOLECULE COLLISIONS
SCATTERING
VARIATIONAL METHODS
ATOM COLLISIONS
COLLISIONS
ELECTRON COLLISIONS
FUNCTIONS
MOLECULE COLLISIONS
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena