Mean excitation energies of singly charged atomic anions with Z ≤ 18

TY - JOUR

T1 - Mean excitation energies of singly charged atomic anions with Z ≤ 18

AU - Sauer, Stephan P. A.

AU - Sabin, John R.

AU - Oddershede, Jens

PY - 2019/4/16

Y1 - 2019/4/16

N2 - We present hitherto unknown mean excitation energies of singly charges atomic anions with Z ≤ 18. Most of them are calculated using the random-phase approximation and large basis sets. We have shown that there is a nearly Z-independent, constant ratio between the mean excitation energies of anions and atoms. We have also shown that Bragg's rule may be applied to determine the mean excitation energies of negative ions from mean excitation energies of atoms and cations with the same nuclear charge but a different number of electrons. These relationships were then used to estimate the mean excitation energies of the anions that we could not calculate directly.

AB - We present hitherto unknown mean excitation energies of singly charges atomic anions with Z ≤ 18. Most of them are calculated using the random-phase approximation and large basis sets. We have shown that there is a nearly Z-independent, constant ratio between the mean excitation energies of anions and atoms. We have also shown that Bragg's rule may be applied to determine the mean excitation energies of negative ions from mean excitation energies of atoms and cations with the same nuclear charge but a different number of electrons. These relationships were then used to estimate the mean excitation energies of the anions that we could not calculate directly.

KW - Faculty of Science

KW - Stopping Power

KW - Mean excitation energy

KW - Anions

KW - Quantum Chemistry

KW - random phase approximation

U2 - 10.1088/1361-6455/ab0e59

DO - 10.1088/1361-6455/ab0e59

M3 - Journal article

SN - 0953-4075

VL - 52

JO - Journal of Physics B: Atomic, Molecular and Optical Physics

JF - Journal of Physics B: Atomic, Molecular and Optical Physics

IS - 9

M1 - 095004

ER -