화학공학소재연구정보센터
Chemical Physics Letters, Vol.375, No.5-6, 565-570, 2003
Correlated interelectronic angle densities of two-electron atoms in position and momentum spaces
Based on multi-configuration Hartree-Fock calculations, correlated interelectronic angle densities are systematically reported for the first 10 members of two-electron atoms in both position and momentum spaces. In position space, the electron correlation is found to modify the uniform Hartree-Fock density so that the density migrates from a small to a large angle, resulting in an average interelectronic angle greater than 90degrees. In momentum space, however, the opposite is true and the two electrons prefer parallel momenta to inverse momenta. (C) 2003 Elsevier Science B.V. All rights reserved.