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20112023
most citedThe DIRAC code for relativistic molecular calculations

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

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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…

physics.atom-ph2019

-Violating and Magnetic Hyperfine Interactions in Atomic Thallium

Timo Fleig, Leonid V. Skripnikov

We present state-of-the-art configuration interaction and coupled cluster calculations of the electron electric dipole moment, the nucleon-electron scalar-pseudoscalar, and the mag…

physics.atom-ph2018★ 10 cited

-Odd Tensor-Pseudotensor Interactions in atomic {Hg} and {Ra}

Timo Fleig

Highly correlated pure {\it{ab initio}} relativistic configuration interaction theory is in the present paper applied to the calculation of the tensor-pseudotensor -…

physics.atom-ph2017★ 60 cited

-Odd and Magnetic Hyperfine Interaction Constants and Excited-State Lifetime for HfF

Timo Fleig

Parity- and time-reversal-symmetry violating interaction constants required for the interpretation of a recent measurement (arXiv:1704.07928 [physics.atom-ph]) of corresponding sym…

physics.atom-ph2016★ 25 cited

TaO, a Candidate Molecular Ion in Search of Physics Beyond the Standard Model

Timo Fleig

The TaO molecular ion is proposed as a candidate system for detecting signatures of charge parity () violating physics beyond the standard model of elementary parti…

physics.atom-ph2016

Comment on "Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of in ThO"

Malika Denis, Timo Fleig

We present an updated EDM effective electric field of and the electron-nucleon scalar-pseudoscalar interaction constant $W…

physics.atom-ph2015★ 29 cited

TaN, a molecular system for probing -violating hadron physics

Timo Fleig, Malaya K. Nayak, Mikhail Kozlov

All-electron configuration interaction theory in the framework of the Dirac-Coulomb Hamiltonian has been applied to the TaN molecule, a promising candidate in the search for Beyond…

physics.atom-ph2014★ 67 cited

Electron Electric Dipole Moment and Hyperfine Interaction Constants for ThO

Timo Fleig, Malaya K. Nayak

A recently implemented relativistic four-component configuration interaction approach to study - and -odd interaction constants in atoms and molecules is empl…