title: Strong enhancement of parity violation effects in chiral uranium compounds.
abstract: The effects of parity violation (PV) on the vibrational transitions of chiral uranium compounds of the type N≡UXYZ and N≡UHXY (X, Y, Z = F, Cl, Br, I) are analysed by means of exact two-component relativistic (X2C) Hartree-Fock and density functional calculations using NUFClI and NUHFI as representative examples. The PV contributions to the vibrational transitions were found to be in the Hz range, larger than for any of the earlier proposed chiral molecules. Thus, these systems are very promising candidates for future experimental PV measurements. A detailed comparison of the N≡UHFI and the N≡WHFI homologues reveals that subtle electronic structure effects, rather than exclusively a simple Z(5) scaling law, are the cause of the strong enhancement in PV contributions of the chiral uranium molecules.
authors.affiliation: Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 368, D-69120 Heidelberg, Germany. michael.wormit@iwr.uni-heidelberg.de.
authors.forename: Michael
authors.initials: M
authors.lastname: Wormit
authors.forename: Małgorzata
authors.initials: M
authors.lastname: Olejniczak
authors.forename: Anna-Lena
authors.initials: AL
authors.lastname: Deppenmeier
authors.forename: Anastasia
authors.initials: A
authors.lastname: Borschevsky
authors.forename: Trond
authors.initials: T
authors.lastname: Saue
authors.forename: Peter
authors.initials: P
authors.lastname: Schwerdtfeger