Mean excitation energies of singly charged atomic anions with Z ≤ 18
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Mean excitation energies of singly charged atomic anions with Z ≤ 18. / Sauer, Stephan P. A.; Sabin, John R.; Oddershede, Jens.
I: Journal of Physics B: Atomic, Molecular and Optical Physics, Bind 52, Nr. 9, 095004, 2019.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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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
Y1 - 2019
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 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 same nuclear charge but 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 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 same nuclear charge but 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
VL - 52
JO - Journal of Physics B: Atomic, Molecular and Optical Physics
JF - Journal of Physics B: Atomic, Molecular and Optical Physics
SN - 0953-4075
IS - 9
M1 - 095004
ER -
ID: 214028621