Relativistic two-component infinite order method for atomic core ionization potentials.
In this paper the authors have applied the infinite-order two-component method (IOTC) to compute the valence and inner shell ionization potentials for the Ne, Ar, Kr, and Xe elements. The obtained results show the very good performance of the recently defined relativistic IOTC method. They also confirm the importance of the relativistic effects in the determination of the inner shell ionization potentials.
Barysz
Maria
M
Department of Quantum Chemistry, Nicolaus Copernicus University, Gagarina 7, PL-87 100 Toruń, Poland. teomj@chem.uni.torun.pl
Leszczyński
Jerzy
J