Rolf Heilemann Myhre
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
- (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).
- (2020) A new and efficient implementation of CC3. Journal of Chemical Theory and Computation.
- (2020) Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine. Faraday discussions.
- (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) Reactions of microhydrated ozonide with methyl chloride. International Journal of Mass Spectrometry. vol. 435.
- (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) Demonstrating that the nonorthogonal orbital optimized coupled cluster model converges to full configuration interaction. Journal of Chemical Physics. vol. 148 (9).
- (2018) A theoretical and experimental benchmark study of core-excited states in nitrogen. Journal of Chemical Physics. vol. 148:064106 (6).
- (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).
- (2016) Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory. Journal of Chemical Theory and Computation. vol. 12 (6).
- (2016) The multilevel CC3 coupled cluster model. Journal of Chemical Physics. vol. 145:044111 (4).
- (2014) The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. vol. 4 (3).
- (2014) Multi-level coupled cluster theory. Journal of Chemical Physics. vol. 141 (22).
- (2013) The extended CC2 model ECC2. Molecular Physics. vol. 111 (9-11).
- (2016) Multilevel coupled cluster theory. 2016. Doktoravhandlinger ved NTNU (267).
- (2013) Development and implementation of extended CC2 models. 2013.