Research Papers in Physics and Astronomy

 

Date of this Version

February 1968

Comments

Published by American Institute of Physics. J. Chemical Physics 48, 1752 (1968). ©1968 American Institute of Physics. Permission to use. http://jcp.aip.org/.

Abstract

A method for performing a restricted configuration interaction calculation on atoms or molecules based on the use of Young operators from the symmetric groups is discussed and its relation to some other types of calculations is pointed out. The method in its most general form can be said to be an extension of the independent particle approach which represents the wavefunction in terms of the n best possible one-particle orbitals for the n-particle system. Illustrations are given for the hydrogen molecule, the helium atom, and the allyl radical. ©1968 American Institute of Physics

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