Projected Hartree Product Wavefunctions. IV. Radial Correlation in Some Three- and Four-Electron Atoms

Authors

L.G. Heikes, University of Nebraska - Lincoln
Gordon A. Gallup, UNLFollow

Date of this Version

January 1970

Comments

Published by American Institute of Physics. J. Chemical Physics 888 (1970). ©1970 American Institute of Physics. Permission to use. http://jcp.aip.org/.

Abstract

The energies of some three- and four-electron atoms including radial correlation have been determined by a spin-free version of the projected Hartree–Fock method. The wavefunction possesses the maximum flexibility allowable under the general restrictions of the method, and it is shown that this flexibility is necessary to adequately account for the differences between intra- and intershell correlation. Some comments on the AMO method are included. ©1970 American Institute of Physics