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Manuscript Title: VLAM: a program for computing the electron-molecule static interaction potential from a Legendre expansion of the molecular charge density.
Authors: G.B. Schmid, D.W. Norcross, L.A. Collins
Program title: VLAM
Catalogue identifier: ACZX_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 21(1980)79
Programming language: Fortran.
Computer: CDC 6000-7000.
Operating system: KRONOS 2.1.
RAM: 60K words
Word size: 60
Peripherals: disc.
Keywords: Interaction potential, Electron-molecule, Quantum chemistry, Potential scattering, Scattering, Molecule.
Classification: 16.5.

Nature of problem:
Evaluation of the electron-molecule static interaction potential.

Solution method:
The procedure relies upon Legendre expansions of the Coulomb interaction between the incident electron and the target electrons and nuclei as well as upon a Legendre expansion of the molecular charge density itself.

Restrictions:
Restricted to systems with azimuthal symmetry.

Running time:
Approximately 0.005 s/(radial point-moment) execution time for a run with several moments of the Legendre expansion. The test case took 4.191 s execution time for lambda=0,1,2 with a radial mesh of 241 points on a CDC 6600 computer. Timing is not expected to be very dependent upon the case.