Andreas W. Ehlers

A quantitative analysis of light‐driven charge transfer processes using voronoi partitioning of time dependent DFT‐derived electron densities

Jeroen Rombouts, Koop Lammertsma, Andreas W. Ehlers, 2017, J. Comput. Chem..

Rational design of near‐infrared absorbing organic dyes: Controlling the HOMO–LUMO gap using quantitative molecular orbital theory

F. Matthias Bickelhaupt, Célia Fonseca Guerra, Jordi Poater, 2018, J. Comput. Chem..

Geometry optimizations in the zero order regular approximation for relativistic effects.

Evert Jan Baerends, Andreas W. Ehlers, E. Baerends, 1999 .

Performance of the OPBE exchange-correlation functional

Marcel Swart, Andreas W. Ehlers, M. Swart, 2004 .