CaltechAUTHORS
  A Caltech Library Service

Three-dimensional quantum mechanical reactive scattering using symmetrized hyperspherical coordinates

Kuppermann, Aron and Hipes, Paul G. (1986) Three-dimensional quantum mechanical reactive scattering using symmetrized hyperspherical coordinates. Journal of Chemical Physics, 84 (10). pp. 5962-5964. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:KUPjcp86

[img]
Preview
PDF - Published Version
See Usage Policy.

379Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:KUPjcp86

Abstract

We report here the first three-dimensional (3D) reactive scattering calculations using symmetrized hyper-spherical coordinates (SHC). They show that the 3D local hyper-spherical surface function basis set leads to a very efficient computational scheme which should permit accurate reactive scattering calculations to be performed for a significantly large number of systems than has heretofore been possible.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.450781DOIUNSPECIFIED
http://link.aip.org/link/?JCPSA6/69/3350/1PublisherUNSPECIFIED
Additional Information:© 1986 American Institute of Physics. Received 20 February 1986; accepted 7 March 1986. Work supported in part by the U.S. Office of Scientific Research, Contract No. AFOSR-82-0341. Support from the U.S. Department of Energy, Grant No. DE-AS03-83ER13118 is also acknowledged. Work performed [by P.G.H.] in partial fulfillment of the requirements for the Ph.D. in Chemistry at the California Institute of Technology. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 7371.
Funders:
Funding AgencyGrant Number
Air Force Office of Scientific ResearchAFOSR-82-0341
Department of EnergyDE-AS03-83ER13118
Subject Keywords:MOLECULAR BEAMS, LASER RADIATION, SPECTROSCOPY, RESOLUTION, EXCITATION
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Arthur Amos Noyes Laboratory of Chemical Physics7371
Record Number:CaltechAUTHORS:KUPjcp86
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:KUPjcp86
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:11453
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:08 Sep 2008 23:26
Last Modified:26 Dec 2012 10:14

Repository Staff Only: item control page