Andreas Dreuw

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Uwe BunzChair of Organic Chemistry, Ruprecht-Karls-Universität HeidelbergAdresse e-mail validée de oci.uni-heidelberg.de
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyAdresse e-mail validée de cchem.berkeley.edu
Josef WachtveitlProfessor, Goethe University FrankfurtAdresse e-mail validée de theochem.uni-frankfurt.de
Lorenz S. CederbaumProfessor of Chemistry, Heidelberg UniversityAdresse e-mail validée de pci.uni-heidelberg.de
Felix PlasserLoughborough UniversityAdresse e-mail validée de lboro.ac.uk
Jan-Michael MewesMulliken Center for Theoretical Chemistry, Bonn University, GermanyAdresse e-mail validée de thch.uni-bonn.de
Patrick NormanKTH Royal Institute of TechnologyAdresse e-mail validée de kth.se
Maximilian ScheurerCovestro Deutschland AGAdresse e-mail validée de covestro.com
Tiago BuckupAdresse e-mail validée de pci.uni-heidelberg.de
Stefan KnippenbergTheory Lab, Hasselt University, BelgiumAdresse e-mail validée de uhasselt.be
Thomas FranssonResearcher, Stockholm UniversityAdresse e-mail validée de fysik.su.se
Michael MastalerzUniversität HeidelbergAdresse e-mail validée de oci.uni-heidelberg.de
Anna KrylovProfessor of Chemistry, University of Southern CaliforniaAdresse e-mail validée de usc.edu
Evgeny EpifanovskyQ-ChemAdresse e-mail validée de q-chem.com
John M. HerbertProfessor of Chemistry & Biochemistry, The Ohio State UniversityAdresse e-mail validée de chemistry.ohio-state.edu
Barry DunietzKent State UniversityAdresse e-mail validée de kent.edu
Alexander ZechHQS Quantum SimulationsAdresse e-mail validée de quantumsimulations.de
Tomasz WesolowskiProfessor, University of GenevaAdresse e-mail validée de unige.ch
Bernd Engelsretired Professor, University of WürzburgAdresse e-mail validée de uni-wuerzburg.de
Christoph JacobTU BraunschweigAdresse e-mail validée de tu-braunschweig.de

Suivre

Andreas Dreuw

Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Heidelberg, Germany

Adresse e-mail validée de uni-heidelberg.de

Theoretical Chemistry Excited electronic states Photochemistry Computational Spectroscopy


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	3239	2015
Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006	3081	2006
Single-reference ab initio methods for the calculation of excited states of large molecules A Dreuw, M Head-Gordon Chemical reviews 105 (11), 4009-4037, 2005	3037	2005
Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin− bacteriochlorin and bacteriochlorophyll− spheroidene … A Dreuw, M Head-Gordon Journal of the American Chemical Society 126 (12), 4007-4016, 2004	1942	2004
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange A Dreuw, JL Weisman, M Head-Gordon The Journal of chemical physics 119 (6), 2943-2946, 2003	1812	2003
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021	921	2021
Openmolcas: From source code to insight IF Galván, M Vacher, A Alavi, C Angeli, J Autschbach, JJ Bao, SI Bokarev, ... Journal of Chemical Theory and Computation, 2019	876	2019
The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states A Dreuw, M Wormit Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 82-95, 2015	629	2015
New tools for the systematic analysis and visualization of electronic excitations. I. Formalism F Plasser, M Wormit, A Dreuw The Journal of chemical physics 141 (2), 2014	525	2014
Simulating X-ray spectroscopies and calculating core-excited states of molecules P Norman, A Dreuw Chemical reviews 118 (15), 7208-7248, 2018	289	2018
Multiply charged anions in the gas phase A Dreuw, LS Cederbaum Chemical reviews 102 (1), 181-200, 2002	283	2002
New tools for the systematic analysis and visualization of electronic excitations. II. Applications F Plasser, SA Bäppler, M Wormit, A Dreuw The Journal of chemical physics 141 (2), 2014	266	2014
How much double excitation character do the lowest excited states of linear polyenes have? JH Starcke, M Wormit, J Schirmer, A Dreuw Chemical physics 329 (1-3), 39-49, 2006	242	2006
The third-order algebraic diagrammatic construction method (ADC (3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarking PHP Harbach, M Wormit, A Dreuw The Journal of Chemical Physics 141 (6), 2014	225	2014
Investigating Excited Electronic States using the Algebraic Diagrammatic Construction (ADC) Approach of the Polarisation Propagator M Wormit, DR Rehn, PHP Harbach, J Wenzel, CM Krauter, E Epifanovsky, ... Molecular Physics, 1-21, 2014	200	2014
Advances in quantum mechanochemistry: electronic structure methods and force analysis T Stauch, A Dreuw Chemical Reviews 116 (22), 14137-14180, 2016	191	2016
Calculating core‐level excitations and X‐ray absorption spectra of medium‐sized closed‐shell molecules with the algebraic‐diagrammatic construction scheme for the polarization … J Wenzel, M Wormit, A Dreuw Journal of computational chemistry 35 (26), 1900-1915, 2014	189	2014
Interatomic and intermolecular Coulombic decay T Jahnke, U Hergenhahn, B Winter, R Dörner, U Frühling, ... Chemical reviews 120 (20), 11295-11369, 2020	180	2020
Charge-transfer state as a possible signature of a zeaxanthin− chlorophyll dimer in the non-photochemical quenching process in green plants A Dreuw, GR Fleming, M Head-Gordon The Journal of Physical Chemistry B 107 (27), 6500-6503, 2003	172	2003
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures SA Bäppler, F Plasser, M Wormit, A Dreuw Physical Review A 90 (5), 052521, 2014	171	2014

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