화학공학소재연구정보센터
Journal of Physical Chemistry, Vol.98, No.24, 6118-6119, 1994
Multicenter Bond Index - Grassmann Algebra and N-Order Density-Functional
Through the N-order density functional introduced using Grassmann algebra, a straightforward meaning is attached to multicenter bond indices within the Hartree-Fock approximation; they represent the correlation between the fluctuations of the charges in each atomic center from their average values.