366 citations · 1.5k across the 29 of their papers we have counts for
Showing 2013Show all
2 papers · 1 filter
physics.chem-ph2013★ 90 cited
Four-Component Density Matrix Renormalization Group
Stefan Knecht, Ors Legeza, Markus Reiher
We present the first implementation of the relativistic quantum chemical two- and four-component density matrix renormalization group algorithm that includes a variational descript…
physics.chem-ph2013
Assessment of Charge-Transfer Excitations in Organic Dyes obtained from TD-srDFT Based on Long-Range MP2 and MCSCF Wave Functions
Erik D. Hedegård, Frank Heiden, Stefan Knecht +2
Charge transfer excitations can be described within TD-DFT, not only by means of long-range corrected exchange functionals but also with a combination of wave function theory and T…