activity
20112023
most citedThe DIRAC code for relativistic molecular calculations

366 citations · 692 across the 15 of their papers we have counts for

collaborators

15 papers

physics.atom-ph2023

Atomic Clock States of Thulium have Near-Zero Electric Quadrupole Moment

Timo Fleig

A method for highly accurate calculations of atomic electric quadrupole moments (EQM) is presented, using relativistic general-excitation-rank configuration interaction wavefunctio…

physics.atom-ph2022★ 2 cited

Spectroscopic and Electric Properties of the TaO Molecule Ion for the Search of New Physics: A Platform for Identification and State Control

Ayaki Sunaga, Timo Fleig

The TaO cation is an attractive molecular species to search for parity- and time-reversal-violating interactions, in particular of hadronic origin. For the spectroscopic detect…

physics.atom-ph2022★ 14 cited

Electric dipole moments due to nuclear Schiff moment interactions: A reassessment of the atoms Xe, Hg, and the molecule TlF

Mickaël Hubert, Timo Fleig

We present relativistic many-body calculations of atomic and molecular Schiff-moment interaction constants including interelectron correlation effects using atomic Gaussian basis s…

physics.atom-ph2021★ 32 cited

Theoretical Aspects of Radium-Containing Molecules Amenable to Assembly from Laser-Cooled Atoms for New Physics Searches

Timo Fleig, David DeMille

We explore the possibilities for a next-generation electron-electric-dipole-moment experiment using ultracold heteronuclear diatomic molecules assembled from a combination of radiu…

hep-ph2020★ 8 cited

P,T-Odd Interactions in Atomic Xe and Phenomenological Applications

Timo Fleig, Martin Jung

We calculate interaction constants for the contributions from \PT-odd scalar-pseudoscalar and tensor-pseudotensor operators to the electric dipole moment of Xe, for the f…

physics.chem-ph2020★ 366 cited

The DIRAC code for relativistic molecular calculations

Trond Saue, Radovan Bast, Andre Severo Pereira Gomes +24

DIRAC is a freely distributed general-purpose program system for 1-, 2- and 4-component relativistic molecular calculations at the level of Hartree--Fock, Kohn--Sham (including ran…