Alexander Paul
Realfagbygget, D3-124, Gløshaugen, Høgskoleringen 5
About
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
Publications
2022
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Paul, Alexander Christian;
Folkestad, Sarai Dery;
Myhre, Rolf Heilemann;
Koch, Henrik.
(2022)
Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3.
Journal of Chemical Theory and Computation
Academic article
-
Skeidsvoll, Andreas Sæther;
Moitra, Torsha;
Balbi, Alice;
Paul, Alexander Christian;
Coriani, Sonia;
Koch, Henrik.
(2022)
Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory.
Physical Review A (PRA)
Academic article
-
Moitra, Torsha;
Paul, Alexander Christian;
Decleva, Piero;
Koch, Henrik;
Coriani, Sonia.
(2022)
Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum.
Physical Chemistry, Chemical Physics - PCCP
Academic article
-
Fedotov, Daniil;
Paul, Alexander Christian;
Koch, Henrik;
Santoro, Fabrizio;
Coriani, Sonia;
Improta, Roberto.
(2022)
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study.
Physical Chemistry, Chemical Physics - PCCP
Academic article
2021
-
Wolf, Thomas J. A.;
Paul, Alexander Christian;
Folkestad, Sarai Dery;
Myhre, Rolf Heilemann;
Cryan, James P.;
Berrah, Nora.
(2021)
Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine .
Faraday discussions
Academic article
-
Fedotov, Daniil;
Paul, Alexander Christian;
Posocco, Paolo;
Santoro, Fabrizio;
Garavelli, Marco;
Koch, Henrik.
(2021)
Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.
Journal of Chemical Theory and Computation
Academic article
-
Epifanovsky, Evgeny;
Gilbert, Andrew;
Feng, Xintian;
Lee, Joonho;
Mao, Yuezhi;
Mardirossian, Narbe.
(2021)
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Journal of Chemical Physics
Academic article
-
Paul, Alexander Christian;
Myhre, Rolf Heilemann;
Koch, Henrik.
(2021)
New and efficient implementation of CC3.
Journal of Chemical Theory and Computation
Academic article
-
Hutcheson, Anders;
Paul, Alexander Christian;
Myhre, Rolf Heilemann;
Koch, Henrik;
Høyvik, Ida-Marie.
(2021)
Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models.
Journal of Computational Chemistry
Academic article
-
Hohenstein, Edward G;
Yu, Jimmy;
Bannwarth, Christoph;
Holmgaard List, Nanna;
Paul, Alexander Christian;
Folkestad, Sarai Dery.
(2021)
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory.
Journal of Chemical Theory and Computation
Academic article
2020
-
Koch, Henrik;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia;
Folkestad, Sarai Dery;
Giovannini, Tommaso.
(2020)
eT - an electronic structure program.
Software
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Myhre, Rolf Heilemann;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia.
(2020)
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Journal of Chemical Physics
Academic article
-
Dempwolff, Adrian L.;
Paul, Alexander Christian;
Belogolova, Alexandra M.;
Trofimov, Alexander B.;
Dreuw, Andreas.
(2020)
Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation.
Journal of Chemical Physics
Academic article
-
Dempwolff, Adrian L.;
Paul, Alexander Christian;
Belogolova, Alexandra M.;
Trofimov, Alexander B.;
Dreuw, Andreas.
(2020)
Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking.
Journal of Chemical Physics
Academic article
Journal publications
-
Paul, Alexander Christian;
Folkestad, Sarai Dery;
Myhre, Rolf Heilemann;
Koch, Henrik.
(2022)
Oscillator Strengths in the Framework of Equation of Motion Multilevel CC3.
Journal of Chemical Theory and Computation
Academic article
-
Skeidsvoll, Andreas Sæther;
Moitra, Torsha;
Balbi, Alice;
Paul, Alexander Christian;
Coriani, Sonia;
Koch, Henrik.
(2022)
Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory.
Physical Review A (PRA)
Academic article
-
Moitra, Torsha;
Paul, Alexander Christian;
Decleva, Piero;
Koch, Henrik;
Coriani, Sonia.
(2022)
Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum.
Physical Chemistry, Chemical Physics - PCCP
Academic article
-
Fedotov, Daniil;
Paul, Alexander Christian;
Koch, Henrik;
Santoro, Fabrizio;
Coriani, Sonia;
Improta, Roberto.
(2022)
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study.
Physical Chemistry, Chemical Physics - PCCP
Academic article
-
Wolf, Thomas J. A.;
Paul, Alexander Christian;
Folkestad, Sarai Dery;
Myhre, Rolf Heilemann;
Cryan, James P.;
Berrah, Nora.
(2021)
Transient Resonant Auger-Meitner Spectra of Photoexcited Thymine .
Faraday discussions
Academic article
-
Fedotov, Daniil;
Paul, Alexander Christian;
Posocco, Paolo;
Santoro, Fabrizio;
Garavelli, Marco;
Koch, Henrik.
(2021)
Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.
Journal of Chemical Theory and Computation
Academic article
-
Epifanovsky, Evgeny;
Gilbert, Andrew;
Feng, Xintian;
Lee, Joonho;
Mao, Yuezhi;
Mardirossian, Narbe.
(2021)
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Journal of Chemical Physics
Academic article
-
Paul, Alexander Christian;
Myhre, Rolf Heilemann;
Koch, Henrik.
(2021)
New and efficient implementation of CC3.
Journal of Chemical Theory and Computation
Academic article
-
Hutcheson, Anders;
Paul, Alexander Christian;
Myhre, Rolf Heilemann;
Koch, Henrik;
Høyvik, Ida-Marie.
(2021)
Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models.
Journal of Computational Chemistry
Academic article
-
Hohenstein, Edward G;
Yu, Jimmy;
Bannwarth, Christoph;
Holmgaard List, Nanna;
Paul, Alexander Christian;
Folkestad, Sarai Dery.
(2021)
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory.
Journal of Chemical Theory and Computation
Academic article
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Myhre, Rolf Heilemann;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia.
(2020)
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Journal of Chemical Physics
Academic article
-
Dempwolff, Adrian L.;
Paul, Alexander Christian;
Belogolova, Alexandra M.;
Trofimov, Alexander B.;
Dreuw, Andreas.
(2020)
Intermediate state representation approach to physical properties of molecular electron-detached states. I. Theory and implementation.
Journal of Chemical Physics
Academic article
-
Dempwolff, Adrian L.;
Paul, Alexander Christian;
Belogolova, Alexandra M.;
Trofimov, Alexander B.;
Dreuw, Andreas.
(2020)
Intermediate state representation approach to physical properties of molecular electron-detached states. II. Benchmarking.
Journal of Chemical Physics
Academic article
PRODUKT
-
Koch, Henrik;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia;
Folkestad, Sarai Dery;
Giovannini, Tommaso.
(2020)
eT - an electronic structure program.
Software