Gaussians for Electronic and Rovibrational Quantum Dynamics

AP Woźniak, L Adamowicz, TB Pedersen… - The Journal of …, 2024 - ACS Publications
The assumptions underpinning the adiabatic Born–Oppenheimer (BO) approximation are
broken for molecules interacting with attosecond laser pulses, which generate complicated …

Fine structure of the doublet levels of boron

S Nasiri, D Tumakov, M Stanke, A Kędziorski… - Physical Review …, 2024 - APS
We report high-accuracy calculations of the ground and the lowest eight excited P o 2 states
of the two stable isotopes of the boron atom, B 10 and B 11, as well as of the boron atom …

Non-Born–Oppenheimer Electronic Structure and Relativistic Effects in the Ground States of BH and BH+

S Nasiri, S Bubin, L Adamowicz - The Journal of Physical …, 2025 - ACS Publications
In this work, we report benchmark variational calculations for the boron monohydride (BH)
molecule and its cation (BH+). The solutions to the nonrelativistic Schrödinger equations …

Oscillator strengths for transitions in neutral boron

S Nasiri, S Bubin, L Adamowicz - Physical Review A, 2024 - APS
In this study, we perform a set of benchmark variational calculations for the ground state and
for the 18 lowest bound excited S 2 and P 2 states of the boron atom. The nonrelativistic …

Recent advancements in atomic many-body methods for high-precision studies of isotope shifts

BK Sahoo, SA Blundell, A Oleynichenko… - Journal of Physics B …, 2024 - iopscience.iop.org
The development of atomic many-body methods, capable of incorporating electron
correlation effects accurately, is required for isotope shift (IS) studies. In combination with …

Isotopic shifts in 3P states of the carbon atom

S Nasiri, S Bubin, L Adamowicz - Molecular Physics, 2024 - Taylor & Francis
Isotope shifts in the transition energies between several lowest 3 P e states of the carbon
atom are calculated at the nonrelativistic level of theory. We considered the 12 C, 13 C, and …