Henrik Koch
Background and activities
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
Journal publications
- (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics. vol. 152 (18).
- (2019) An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets. Advances in Quantum Chemistry. vol. 79.
- (2019) Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges. Journal of Chemical Physics. vol. 151 (14).
- (2019) An efficient algorithm for Cholesky decomposition of electron repulsion integrals. Journal of Chemical Physics. vol. 150 (19).
- (2019) Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbital. Journal of Chemical Theory and Computation.
- (2019) An Orbital Invariant Similarity Constrained Coupled Cluster Model. Journal of Chemical Theory and Computation. vol. 15 (10).
- (2019) X-ray and UV spectra of glycine within coupled cluster linear response theory. Journal of Physical Chemistry A. vol. 123 (45).
- (2019) Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy. Journal of Physical Chemistry A. vol. 123 (32).
- (2018) Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction. Journal of Chemical Theory and Computation. vol. 14 (8).
- (2018) A theoretical and experimental benchmark study of core-excited states in nitrogen. Journal of Chemical Physics. vol. 148:064106 (6).
- (2017) Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles. Journal of Physical Chemistry A. vol. 121 (5).
- (2017) Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models. Journal of Chemical Physics. vol. 146 (14).
- (2017) Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption. Nature Communications. vol. 8 (1).
- (2017) Crossing conditions in coupled cluster theory. Journal of Chemical Physics. vol. 147 (16).
- (2017) Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics. The Journal of Physical Chemistry Letters. vol. 8 (19).
- (2017) Density-Based Multilevel Hartree-Fock Model. Journal of Chemical Theory and Computation. vol. 13 (11).
- (2017) Tautomerization of thymine using ultraviolet light. Langmuir. vol. 33 (38).
- (2016) Optical Rotation Calculations for a Set of Pyrrole Compounds. Journal of Physical Chemistry A. vol. 120.
- (2016) Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters. Journal of Physical Chemistry A. vol. 120 (40).
- (2016) Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence. Journal of Chemical Theory and Computation. vol. 12.