화학공학소재연구정보센터
Chemical Physics Letters, Vol.325, No.1-3, 29-32, 2000
Atomic ionization radii using Janak's theorem
Accurate calculations of the atomic ionization radius defined as the critical radius at which a spherically confined atom undergoes ionization are reported for the atoms He-Ca using the Kohn-Sham variational method in conjunction with the Slater transition state approximation to Janak's theorem of the density functional theory.