1 citations · 1 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2023★ 1 cited
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Anton Nykänen, Aaron Miller, Walter Talarico +11
Nuclear quantum effects such as zero-point energy and hydrogen tunnelling play a central role in many biological and chemical processes. The nuclear-electronic orbital (NEO) approa…
quant-ph2023
Nonadiabatic nuclear-electron dynamics: a quantum computing approach
Arseny Kovyrshin, Mårten Skogh, Lars Tornberg +6
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a pert…