Accession Number:

AD0602282

Title:

CORRELATION ENERGY OF TWO-ELECTRON SYSTEMS,

Descriptive Note:

Corporate Author:

WISCONSIN UNIV MADISON THEORETICAL CHEMISTRY INST

Report Date:

1964-06-10

Pagination or Media Count:

20.0

Abstract:

Correlated closed-shell and open-shell functions due to Roothaan and Weiss are analyzed in terms of a 1Z expansion to obtain the corresponding first order wave functions and the second order energy. The need for expanding the open-shell functions in powers of Z to the minus 12 power is demonstrated. The contributions to the second order energy from radial and angular correlation are estimated. Author

Subject Categories:

Distribution Statement:

APPROVED FOR PUBLIC RELEASE