Benchmarking Excited-State Calculations Using Exciton Properties
Mewes, Stefanie A, Plasser, Felix, Krylov, Anna, Dreuw, Andreas
Published in Journal of chemical theory and computation (13.02.2018)
Published in Journal of chemical theory and computation (13.02.2018)
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Journal Article
Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene
Plasser, Felix, Mewes, Stefanie A, Dreuw, Andreas, González, Leticia
Published in Journal of chemical theory and computation (14.11.2017)
Published in Journal of chemical theory and computation (14.11.2017)
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Journal Article
Electron–Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying ππ States of Nitrogen Heterocycles
Hoffmann, Marvin, Mewes, Stefanie A, Wieland, Sonja, Popp, Christoph, Dreuw, Andreas
Published in The journal of physical chemistry letters (17.10.2019)
Published in The journal of physical chemistry letters (17.10.2019)
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Journal Article
OpenMolcas: From Source Code to Insight
Fdez. Galván, Ignacio, Vacher, Morgane, Alavi, Ali, Angeli, Celestino, Aquilante, Francesco, Autschbach, Jochen, Bao, Jie J, Bokarev, Sergey I, Bogdanov, Nikolay A, Carlson, Rebecca K, Chibotaru, Liviu F, Creutzberg, Joel, Dattani, Nike, Delcey, Mickaël G, Dong, Sijia S, Dreuw, Andreas, Freitag, Leon, Frutos, Luis Manuel, Gagliardi, Laura, Gendron, Frédéric, Giussani, Angelo, González, Leticia, Grell, Gilbert, Guo, Meiyuan, Hoyer, Chad E, Johansson, Marcus, Keller, Sebastian, Knecht, Stefan, Kovačević, Goran, Källman, Erik, Li Manni, Giovanni, Lundberg, Marcus, Ma, Yingjin, Mai, Sebastian, Malhado, João Pedro, Malmqvist, Per Åke, Marquetand, Philipp, Mewes, Stefanie A, Norell, Jesper, Olivucci, Massimo, Oppel, Markus, Phung, Quan Manh, Pierloot, Kristine, Plasser, Felix, Reiher, Markus, Sand, Andrew M, Schapiro, Igor, Sharma, Prachi, Stein, Christopher J, Sørensen, Lasse Kragh, Truhlar, Donald G, Ugandi, Mihkel, Ungur, Liviu, Valentini, Alessio, Vancoillie, Steven, Veryazov, Valera, Weser, Oskar, Wesołowski, Tomasz A, Widmark, Per-Olof, Wouters, Sebastian, Zech, Alexander, Zobel, J. Patrick, Lindh, Roland
Published in Journal of chemical theory and computation (12.11.2019)
Published in Journal of chemical theory and computation (12.11.2019)
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Journal Article
Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculationsElectronic supplementary information (ESI) available: Evaluation of the approximate exciton size measure; electron-hole correlation plots of the first four electronically excited states of (PV)nP oligomers with n = 1, 2, 3 calculated at the ADC(2)/SV(P) and ADC(3)/SV(P) levels of theory; and analysis of triplet excited states of (PV)nP (n = 1,...,7): electron-hole correlation plots
Mewes, Stefanie A, Mewes, Jan-Michael, Dreuw, Andreas, Plasser, Felix
Year of Publication 20.01.2016
Year of Publication 20.01.2016
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