102 citations · 102 across the 3 of their papers we have counts for
4 papers
An efficient relativistic density-matrix renormalization group implementation in a matrix-product formulation
Stefano Battaglia, Sebastian Keller, Stefan Knecht
We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us t…
Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states
Md. Mehboob Alam, Killian Deur, Stefan Knecht +1
The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in…
Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions
Riccardo Spezia, Stefan Knecht, Benedetta Mennucci
Carotenoids can play multiple roles in biological photoreceptors thanks to their rich photophysics. In the present work, we have investigated six of the most common carbonyl contai…
Multi-configuration time-dependent density-functional theory based on range separation
Emmanuel Fromager, Stefan Knecht, Hans Jørgen Aa. Jensen
Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consis…