Method developments in quantum

Invited speaker:

Workshop "New Developments in Coupled-Cluster Theory", 2-7 August 2019, Telluride Elementary School, 477 West Columbia Ave Telluride CO 81435, USA

Pubblicazioni:

  1. An efficient algorithm for Cholesky decomposition of electron repulsion integrals Authors: Folkestad, Sarai D.; Kjonstad, Eirik F.; Koch, Henrik Published: 2019 in The Journal of Chemical Physics DOI: 10.1063/1.5083802
  2. Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy Authors: Wolf, Thomas J. A.; Parrish, Robert M.; Myhre, Rolf H.; ... Guehr, Markus; see more Published: 2019 in The Journal of Physical Chemistry A DOI: 10.1021/ACS.JPCA.9B05573
  3. An Orbital Invariant Similarity Constrained Coupled Cluster Model Authors: Kjonstad, Eirik F.; Koch, Henrik Published: 2019 in Journal of Chemical Theory and Computation DOI: 10.1021/ACS.JCTC.9B00702
  4. Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges Authors: Faber, Rasmus; Kjonstad, Eirik F.; Koch, Henrik; Coriani, Sonia Published: 2019 in The Journal of Chemical Physics DOI: 10.1063/1.5112164
  5. X-ray and UV Spectra of Glycine within Coupled Cluster Linear Response Theory Authors: Myhre, Rolf H.; Coriani, Sonia; Koch, Henrik Published: 2019 in The Journal of Physical Chemistry A DOI: 10.1021/ACS.JPCA.9B06590