activity
20172026
most citedAb initio study of parity and time-reversal violation in laser-coolable triatomic molecules

46 citations · 316 across the 21 of their papers we have counts for

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14 papers · 1 filter

physics.chem-ph2025

Enhanced sensitivity to variations of fundamental constants in highly charged molecules from analytic perturbation theory

Carsten Zülch, Konstantin Gaul, Robert Berger

Quasi-forbidden electronic transitions in atoms and vibronic transitions between quasi-degenerate states in molecules serve as powerful probes of hypothetical temporal variations o…

physics.chem-ph2024

Towards detection of molecular parity violation via chiral co-sensing: the H/P model system

Erik Van Dyke, James Eills, Kirill Sheberstov +10

Fundamental weak interactions have been shown to violate parity in both nuclear and atomic systems. However, observation of parity violation in a molecular system has proven an elu…

physics.chem-ph2024

Quantum electrodynamic corrections for molecules: Vacuum polarisation and electron self energy in a two-component relativistic framework

Kjell Janke, Andrés Emilio Wedenig, Peter Schwerdtfeger +2

Vacuum polarisation (VP) and electron self energy (SE) are implemented and evaluated as quantum electrodynamic (QED) corrections in a (quasi-relativistic) two-component zeroth orde…

physics.chem-ph2024★ 5 cited

Relativistic and quantum electrodynamics effects on NMR shielding tensors of Tl ( = H, F, Cl, Br, I, At) molecules

Karol Kozioł, I. Agustín Aucar, Konstantin Gaul +2

Results of relativistic calculations of nuclear magnetic resonance shielding tensors () for the thallium monocation (Tl), thallium hydride (TlH) and thallium halides (TlF, T…

physics.chem-ph2024

Stopping mass-selected alkaline-earth metal monofluoride beams of high energy via formation of unusually stable anions

Konstantin Gaul, Ronald F. Garcia Ruiz, Robert Berger

Direct laser-coolability and a comparatively simple electronic structure render alkaline-earth metal monofluoride molecules versatile laboratories for precision tests of fundamenta…

physics.chem-ph2023★ 1 cited

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…

physics.chem-ph2022★ 12 cited

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…

physics.chem-ph2022★ 11 cited

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…

physics.chem-ph2021★ 13 cited

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…

physics.chem-ph2020★ 16 cited

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…

physics.chem-ph2019★ 33 cited

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…

physics.chem-ph2018★ 46 cited

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…

physics.chem-ph2018★ 42 cited

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…

physics.chem-ph2017★ 22 cited

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…