화학공학소재연구정보센터
Journal of Chemical Physics, Vol.104, No.3, 1025-1027, 1996
Characteristic Features of the Electrostatic Potential for Negative Atoms Within the Work Formalism
The characteristic topological features of the electrostatic potential for the negatively charged atoms defined by the Sen-Politzer theorem [J. Chem. Phys. 90, 4370 (1989)] calculated using the local exchange-only work potential derived from Coulomb’s law are found to be in good agreement with the corresponding Hartree-Fock results. The perspective of the work formalism attaches new significance to the topological features exclusively in terms of the Fermi-Coulomb hole density.