화학공학소재연구정보센터
Journal of Chemical Physics, Vol.107, No.20, 8510-8517, 1997
Interelectronic moments of atoms in position and momentum spaces
Two methods are presented for the calculation of interelectronic moments [u(n)] in position space and (un) in momentum space of atomic systems within the Hartree-Fock framework, where rr and v are, respectively, the position and momentum distances of any pair of electrons. The methods are applied to the neutral atoms from He to Xe in their ground state, and the moments [u(n)] with n =-2 to +4 and [v(n)] with n=-2 to +3 are reported based on the numerical Hartree-Fock calculations. Some trends of these interelectronic moments are also discussed as a function of atomic number. (C) 1997 American Institute of Physics. [S0021-9606(97)01044-1].