A precise theoretical study of the electronic structure of heavy atom diatomic molecules is of
key importance to interpret the experiments in the search for violation of time-reversal (T) …

We have employed both the Z-vector method and the expectation-value approach in the
relativistic coupled-cluster framework to calculate the scalar-pseudoscalar (S-PS) P, T-odd …

A quasi-relativistic two-component approach for an efficient calculation of P, T-odd
interactions caused by a permanent electric dipole moment of the electron (eEDM) is …

We present state-of-the-art string-based relativistic general-excitation-rank configuration
interaction and coupled cluster calculations of the electron electric dipole moment, the …

Diatomic polar molecules have been the focus of research in the recent past as candidates
for electron electric dipole moment (eEDM), de, measurements. In the present work, we …

BaF is one of the potential candidates for the experimental search of the electric dipole
moment of the electron (eEDM). The NL-eEDM collaboration is building a new experimental …

Combined experimental and theoretical studies on the electric dipole moment of the electron
(eEDM) can probe energy scales of a few TeV to PeV. The possible existence of the eEDM …

Heavy polar diatomic molecules are the leading candidates in searches for the permanent
electric-dipole moment of the electron (eEDM). Next-generation eEDM search experiments …

We employ the four-component relativistic extended–coupled–cluster (ECC) method, a
variational coupled–cluster (CC) approach, to compute the permanent electric dipole …

The understanding of the potential curves of a given molecule has expanded in many ways
during my last 52 years as an experimental and theoretical molecular chemist/physicist in …