Katharina Krause
Karlsruhe, BW 76049, Germany
Last Updated: 09/26/2026
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Found 10 publications
Implementation of the Bethe-Salpeter equation in the TURBOMOLE program.
Journal: Journal of computational chemistry
Published: September 28, 2016
Approaching Phosphorescence Lifetimes in Solution: The Two-Component Polarizable-Embedding Approximate Coupled-Cluster Method.
Journal: Journal of chemical theory and computation
Published: May 10, 2016
Communication: A simplified coupled-cluster Lagrangian for polarizable embedding.
Journal: The Journal of chemical physics
Published: February 01, 2016
Description of spin-orbit coupling in excited states with two-component methods based on approximate coupled-cluster theory.
Journal: The Journal of chemical physics
Published: March 16, 2015
Solvatochromic shifts of Br₂ and I₂ in water cages of type 5¹², 5¹²6², 5¹²6³, and 5¹²6⁴.
Journal: Journal of computational chemistry
Published: November 11, 2014
Communication: two-component ring-coupled-cluster computation of the correlation energy in the random-phase approximation.
Journal: The Journal of chemical physics
Published: December 11, 2013
Conductor-like screening model for relaxed excited states: Implementation in the semiempirical method MSINDO.
Journal: Journal of computational chemistry
Published: September 19, 2013
Analytical Gradients for the MSINDO-sCIS and MSINDO-UCIS Method: Theory, Implementation, Benchmarks, and Examples.
Journal: Journal of chemical theory and computation
Published: March 13, 2012
Deletion of psbJ leads to accumulation of Psb27-Psb28 photosystem II complexes in Thermosynechococcus elongatus.
Journal: Biochimica et biophysica acta
Published: December 08, 2011
MSINDO-sCIS: A New Method for the Calculation of Excited States of Large Molecules.
Journal: Journal of chemical theory and computation
Published: November 08, 2011
Showing 1-10 of 10
Last Updated: 09/26/2026