Ab initio description of polarization in low-energy electron collisions with polar molecules: Application to electron-NH sub 3 scattering

Journal Article · Mon Jun 01 04:00:00 EDT 1992 · Physical Review A. General Physics; (United States)

DOI:https://doi.org/10.1103/PhysRevA.45.7800· OSTI ID:7034892

Rescigno, T N; Lengsfield, B H ^[1]; McCurdy, C W ^[2]; Parker, S D ^[3]

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1. Physics Department, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)
2. National Energy Research Supercomputer Center, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)
3. Department of Chemistry, Ohio State University, Columbus, Ohio 43210 (United States)

We report the results of a theoretical study of low-energy electron-NH{sub 3} scattering in which target polarization effects are included by using an {ital ab} {ital initio} optical potential. The calculations employ the complex Kohn variational technique and are undertaken at both the static-exchange and polarized-self-consistent-field levels. Particular attention is paid to the complications attending electron scattering from target molecules that possess a permanent dipole moment. We describe the steps necessary to extract meaningful differential cross sections from fixed-nuclei calculations that ignore the rotational motion of the target. Good agreement is found between our results and recent experimental measurements.

• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 7034892
• Journal Information: Physical Review A. General Physics; (United States), Journal Name: Physical Review A. General Physics; (United States) Vol. 45:11; ISSN 1050-2947; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

664300* -- Atomic & Molecular Physics-- Collision Phenomena-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
AMMONIA
COLLISIONS
DIPOLE MOMENTS
ELASTIC SCATTERING
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ENERGY DEPENDENCE
ENERGY RANGE
EV RANGE
FUNCTIONS
HYDRIDES
HYDROGEN COMPOUNDS
MOLECULE COLLISIONS
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
ORIENTATION
SCATTERING
SPIN ORIENTATION
TARGETS
VARIATIONAL METHODS
WAVE FUNCTIONS