화학공학소재연구정보센터
Journal of Chemical Physics, Vol.111, No.8, 3319-3326, 1999
Correlated electron extracule densities in position and momentum spaces
Spherically averaged extracule densities in position, d(R), and momentum, (d) over bar(P), spaces have been calculated for the atoms helium to neon starting from explicitly correlated wave functions. Correlated values for the electron-electron counterbalance density in position, d(0), and in momentum, (d) over bar(0), spaces, and also for the expectation values < R-n> and < P-n> are reported. A systematic study of the electronic correlation has been performed by comparing the correlated results with the corresponding Hartree-Fock ones.