Continuum basis functions in the complex Kohn variational method

Journal Article · Thu Jan 31 23:00:00 EST 1991 · Physical Review, A; (USA)

DOI:https://doi.org/10.1103/PhysRevA.43.1625· OSTI ID:5847271

Rescigno, T N ^[1]; Orel, A E ^[2]

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1. Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550 (US)
2. Department of Applied Science, University of California, Davis, Livermore, California 94550 (USA)

We propose a different way for selecting the outgoing continuum basis functions needed in complex Kohn variational calculations of electron-molecule scattering. The proposed method is based on the recent work of Sun {ital et} {ital al}. (Phys. Rev. A 41, 4857 (1990)) dealing with dynamically prepared basis sets for algebraic variational calculations. We have found an alternative technique for removing the sensitivity to the traditional cutoff function in calculations involving ionic targets, while retaining all the computational simplicity of the complex Kohn method.

• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 5847271
• Journal Information: Physical Review, A; (USA), Journal Name: Physical Review, A; (USA) Vol. 43:3; ISSN 1050-2947; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

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