activity
20172024
most citedDevelopment of a Practical Multicomponent Density Functional for Electron-Proton Correlation to Produce Accurate Proton Densities

142 citations · 267 across the 10 of their papers we have counts for

collaborators
Showing 2024Show all

1 paper · 1 filter

physics.chem-ph2024

Non-adiabatic coupling matrix elements in a magnetic field: geometric gauge dependence and Berry phase

Tanner Culpitt, Erik I. Tellgren, Laurens D. M. Peters +1

Non-adiabatic coupling matrix elements (NACMEs) are important in quantum chemistry, particularly for molecular dynamics methods such as surface hopping. However, NACMEs are gauge d…