Accuracy of Hartree-Fock wave functions for electron-H/sub 2/ scattering calculations

Journal Article · Sun May 01 00:00:00 EDT 1988 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.37.3573· OSTI ID:5310378

Feldt, A N

Recent papers on electron-N/sub 2/ scattering by Rumble, Stevens, and Truhlar (J. Phys. B 17, 3151 (1984)) and Weatherford, Brown, and Temkin (Phys. Rev. A 35, 4561 (1987)) have suggested that Hartree-Fock (HF) wave functions may not be accurate for calculating potentials for use in studying electron-molecule collisions. A comparison of results for electron-H/sub 2/ scattering using both correlated and HF wave functions is presented. It is found that for both elastic and inelastic collisions and for all energies considered (up to 10 eV) the HF wave functions yield results in excellent agreement with those obtained from the more accurate wave functions.

• Research Organization: Department of Physics and Astronomy, University of Oklahoma, Norman, Oklahoma 73019
• OSTI ID: 5310378
• Journal Information: Phys. Rev. A; (United States), Vol. 37:9
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HYDROGEN
ELECTRON-MOLECULE COLLISIONS
ELASTIC SCATTERING
EV RANGE 01-10
HARTREE-FOCK METHOD
INELASTIC SCATTERING
MOLECULAR ORBITAL METHOD
POTENTIALS
SCHROEDINGER EQUATION
VIBRATIONAL STATES
WAVE FUNCTIONS
COLLISIONS
DIFFERENTIAL EQUATIONS
ELECTRON COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY RANGE
EQUATIONS
EV RANGE
EXCITED STATES
FUNCTIONS
MOLECULE COLLISIONS
NONMETALS
PARTIAL DIFFERENTIAL EQUATIONS
SCATTERING
WAVE EQUATIONS
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena