In:
Israel Journal of Chemistry, Wiley, Vol. 63, No. 7-8 ( 2023-08)
Abstract:
Highly‐charged UF 3+ , established by Helmut Schwarz and colleagues as the first thermodynamically stable diatomic trication, is investigated theoretically as a messenger for violations of fundamental symmetries, complementing the neutral, isoelectronic ThO, which experimentally gave one of the tightest bounds on violation of parity and time‐reversal symmetry. Electronic levels of UF 3+ are analysed in comparison to the isoelectronic ions PaF 2+ and ThF + . Non‐relativistic complete active space self‐consistent field calculations with scalar‐relativistic effective core potentials and a state‐optimized all‐electron two‐component complex Generalized Hartree‐Fock approach are employed to determine electronic states and properties relevant for tests of fundamental physics with these systems.
Type of Medium:
Online Resource
ISSN:
0021-2148
,
1869-5868
DOI:
10.1002/ijch.v63.7-8
DOI:
10.1002/ijch.202300035
Language:
English
Publisher:
Wiley
Publication Date:
2023
detail.hit.zdb_id:
2066481-3