output
20082026
most citedThe DIRAC code for relativistic molecular calculations

366 citations

63 papers

physics.chem-ph2026★ 1 cited

Parity violation effects in helical osmocene: theoretical analysis and experimental prospects

Eduardus, Agathe Bonifacio, Mathieu Manceau +11

We present a computational investigation of the parity-violating (PV) contributions to the vibrational transitions and nuclear magnetic resonance shieldings of helical osmocene. A…

physics.chem-ph2026★ 16 cited

A Relationship between the Molecular Parity-Violation Energy and the Electronic Chirality Measure

Juan J. Aucar, Alessandro Stroppa, Gustavo A. Aucar

When the weak-forces producing parity-violating effects are taken into account, there is a tiny energy difference between the total electronic energies of two enantiomers ($ΔE_{PV}…

cond-mat.mes-hall2025★ 1 cited

Quantum gates in coupled quantum dots controlled by coupling modulation

Alejandro D. Bendersky, Sergio S. Gomez, Rodolfo H. Romero

We studied the dynamics of a pair of single-electron double quantum dots (DQD) under longitudinal and transverse static magnetic fields and time-dependent harmonic modulation of th…

physics.chem-ph2025

Ab Initio Calculations of the Static and Dynamic Polarizability of BaOH

E. H. Prinsen, A. Borschevsky, S. Hoekstra +5

We present high-precision ab initio calculations of the static and dynamic polarizability of the barium monohydroxide (BaOH) molecule, using relativistic coupled-cluster th…

quant-ph2025

Implementing a Universal Set of Geometric Quantum Gates through Dressed-State assisted STA

M. Estefanía Rus, Alejandro Ferrón, Omar Osenda +1

Geometric quantum computation relies on the geometric phase that arises in adiabatic cyclic evolutions of non-degenerate quantum systems, enabling the design of robust quantum gate…

cond-mat.mes-hall2025★ 4 cited

Electrically tunable quantum interference of atomic spins on surfaces

Hao Wang, Jing Chen, Peng Fan +9

Controlling quantum interference near avoided energy-level crossings is crucial for fast and reliable coherent manipulation in quantum information processing. However, achieving tu…