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Title: Use of time-dependent wave-packet theory in electron-molecule scattering

Abstract

Time-dependent wave-packet theory [B. Ritchie, Phys. Rev. A 45, R4207 (1992)] is applied to electron-molecule scattering. The Schroedinger equation is solved in time and space on a numerical grid, thus avoiding use of basis-set expansions. A plane-wave-centered, Gaussian wave packet is propagated through the region of the potential. Once the wave packet has passed outside the range of the potential, the differential cross section is calculated directly from the multidimensional wave function by use of the Huygens-Fresnel integral from optics.

Authors:
;  [1]
  1. University of California, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)
Publication Date:
OSTI Identifier:
6390182
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Journal Article
Journal Name:
Physical Review A; (United States)
Additional Journal Information:
Journal Volume: 48:4; Journal ID: ISSN 1050-2947
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ELECTRON-MOLECULE COLLISIONS; DIFFERENTIAL CROSS SECTIONS; HYDROGEN; CALCULATION METHODS; GAUSS FUNCTION; POTENTIAL SCATTERING; SCHROEDINGER EQUATION; TIME DEPENDENCE; WAVE PACKETS; COLLISIONS; CROSS SECTIONS; DIFFERENTIAL EQUATIONS; ELASTIC SCATTERING; ELECTRON COLLISIONS; ELEMENTS; EQUATIONS; FUNCTIONS; MOLECULE COLLISIONS; NONMETALS; PARTIAL DIFFERENTIAL EQUATIONS; SCATTERING; WAVE EQUATIONS; 664300* - Atomic & Molecular Physics- Collision Phenomena- (1992-)

Citation Formats

Elza, B K, and Ritchie, B. Use of time-dependent wave-packet theory in electron-molecule scattering. United States: N. p., 1993. Web. doi:10.1103/PhysRevA.48.2940.
Elza, B K, & Ritchie, B. Use of time-dependent wave-packet theory in electron-molecule scattering. United States. doi:10.1103/PhysRevA.48.2940.
Elza, B K, and Ritchie, B. Fri . "Use of time-dependent wave-packet theory in electron-molecule scattering". United States. doi:10.1103/PhysRevA.48.2940.
@article{osti_6390182,
title = {Use of time-dependent wave-packet theory in electron-molecule scattering},
author = {Elza, B K and Ritchie, B},
abstractNote = {Time-dependent wave-packet theory [B. Ritchie, Phys. Rev. A 45, R4207 (1992)] is applied to electron-molecule scattering. The Schroedinger equation is solved in time and space on a numerical grid, thus avoiding use of basis-set expansions. A plane-wave-centered, Gaussian wave packet is propagated through the region of the potential. Once the wave packet has passed outside the range of the potential, the differential cross section is calculated directly from the multidimensional wave function by use of the Huygens-Fresnel integral from optics.},
doi = {10.1103/PhysRevA.48.2940},
journal = {Physical Review A; (United States)},
issn = {1050-2947},
number = ,
volume = 48:4,
place = {United States},
year = {1993},
month = {10}
}