Alexander Paul
Bakgrunn og aktiviteter
Area of work:
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Group of Henrik Koch
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Coupled Cluster Methods (CC3)
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Triplet excited states
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Conical Intersections with Coupled Cluster
Background:
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Master in chemistry at the university of Heidelberg
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Exchange semester at Aarhus University
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Bachelor in chemistry at the universtiy of Heidelberg
Vitenskapelig, faglig og kunstnerisk arbeid
Et utvalg av nyere tidsskriftspublikasjoner, kunstneriske produksjoner, bok, inklusiv bokdeler og rapport-del. Se alle publikasjoner i databasen
Tidsskriftspublikasjoner
- (2021) A new and efficient implementation of CC3. Journal of Chemical Theory and Computation. vol. 17.
- (2020) Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation. Journal of Chemical Physics. vol. 152 (2).
- (2020) Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking. Journal of Chemical Physics. vol. 152 (2).
- (2020) Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. ChemRxiv.
- (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) Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine. Faraday discussions.