148 citations · 889 across the 26 of their papers we have counts for
15 papers · 1 filter
Towards detection of molecular parity violation by microwave spectroscopy of CpRe(CH)(CO)(NO)
Nityananda Sahu, Konstantin Gaul, Anke Wilm +2
Parity-violating differences in rotational constants of a chiral 5d transition metal complex, that was previously experimentally well-characterised by broad-band microwave spectros…
Relativistic and QED corrections to one-bond indirect nulcear spin-spin couplings in X and X ions (X = Zn, Cd, Hg)
Mariano Colombo Jofré, Karol Kozioł, I. Agustín Aucar +3
The indirect nuclear spin-spin coupling tensor, , between mercury nuclei in Hg-containing systems can be of the order of few kHz and one of the largest measured. We cond…
Cool molecular highly charged ions for precision tests of fundamental physics
Carsten Zülch, Konstantin Gaul, Steffen M. Giesen +2
Molecules and atomic highly charged ions provide powerful low-energy probes of the fundamental laws of physics: Polar molecules possess internal fields suitable to enhance fundamen…
Quasi-relativistic approach to analytical gradients of parity violating potentials
Sascha A Brück, Nityananda Sahu, Konstantin Gaul +1
An analytic gradient approach for the computation of derivatives of parity-violating (PV) potentials with respect to displacements of the nuclei in chiral molecules is described an…
A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase
K. Fehre, N. M. Novikovskiy, S. Grundmann +28
X-ray as well as electron diffraction are powerful tools for structure determination of molecules. Studies on randomly oriented molecules in the gas-phase address cases in which mo…
Parity nonconserving interactions of electrons in chiral molecules with cosmic fields
Konstantin Gaul, Mikhail G. Kozlov, Timur A. Isaev +1
Pseudoscalar or pseudovector cosmic fields, that serve as a source of parity () violation, are invoked in different models for cold dark matter or in the standard mode…
High-resolution resonance-enhanced multiphoton photoelectron circular dichroism
Alexander Kastner, Greta Koumarianou, Pavle Glodic +13
Photoelectron circular dichroism (PECD) is a highly sensitive enantiospecific spectroscopy for studying chiral molecules in the gas phase using either single-photon ionization or m…
Toolbox approach for quasi-relativistic calculation of molecular properties for precision tests of fundamental physics
Konstantin Gaul, Robert Berger
A generally applicable approach for the calculation of relativistic one-electron properties with two-component wave functions is presented. The formalism is explicitly evaluated fo…
Ab initio study of parity and time-reversal violation in laser-coolable triatomic molecules
Konstantin Gaul, Robert Berger
Electronic structure enhancement factors of simultaneous parity and time-reversal violation (-violation) caused by an electric dipole moment of the electron (eEDM) a…
Systematic study of relativistic and chemical enhancements of -odd effects in polar diatomic radicals
Konstantin Gaul, Sebastian Marquardt, Timur Isaev +1
Polar diatomic molecules that have, or are expected to have a -ground state are studied systematically with respect to simultaneous violation of parity and…
Zeroth order regular approximation approach to electric dipole moment interactions of the electron
Konstantin Gaul, Robert Berger
A quasi-relativistic two-component approach for an efficient calculation of -odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is…
Stereochemical configuration and selective excitation of the chiral molecule halothane
Martin Pitzer, Gregor Kastirke, Phillip Burzynski +12
X-ray single-photon ionization and fragmentation of the chiral molecule halothane (CHBrClCF) from a racemic mixture have been investigated using the COLTRIMS (Cold Target R…
Polyatomic candidates for cooling of molecules with lasers from simple theoretical concepts
Timur Isaev, Robert Berger
A rational approach to identify polyatomic molecules that appear to be promising candidates for direct Doppler cooling with lasers is outlined. First-principle calculations for equ…
Parity violation in nuclear magnetic resonance frequencies of chiral tetrahedral tungsten complexes NWXYZ (X, Y, Z = H, F, Cl, Br or I)
Sophie Nahrwold, Robert Berger, Peter Schwerdtfeger
Density functional theory within the two-component quasi-relativistic zeroth-order regular approximation (ZORA) is used to predict parity violation shifts in 183W nuclear magnetic…
Cumulant expansion for fast estimate of non-Condon effects in vibronic transition profiles
Joonsuk Huh, Robert Berger
When existing, cumulants can provide valuable information about a given distribution and can in principle be used to either fully reconstruct or approximate the parent distribution…