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Sergey I. Bokarev

swiss federal institutes of technology domain

21H指数
89论文数
2.6K被引数
收录论文 27
发表时间
Non-Resonant Magnetic X-ray Scattering as a Probe of Ultrafast Molecular Spin-State Dynamics: An Ab Initio Theory
err2025-01-02
err0
PREAI
errMi, Xiaoyu; Zhang, Ming; Zhao, Leshi; Liang, Zhou; Peng, Renxuan; Guo, Zhaoheng; Bokarev, Sergey I.; Li, Zheng
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Observation of molecular resonant double-core excitation driven by intense X-ray pulses
err2024-10-17
err1
errOAAI
errPelimanni, Eetu; Fouda, Adam E. A.; Ho, Phay J.; Baumann, Thomas M.; Bokarev, Sergey I.; De Fanis, Alberto; Dold, Simon; Grell, Gilbert; Ismail, Iyas; Koulentianos, Dimitrios; Mazza, Tommaso; Meyer, Michael; Piancastelli, Maria-Novella; Puettner, Ralph; Rivas, Daniel E.; Senfftleben, Bjoern; Simon, Marc; Young, Linda; Doumy, Gilles
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Valence and Core Photoelectron Spectra of Aqueous I3- from Multi-Reference Quantum Chemistry
err2023-07-10
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errOAAI
errKochetov, Vladislav; Ahsan, Md Sabbir; Hein, Dennis; Wilkinson, Iain; Bokarev, Sergey I.
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational ChemistryOpenMolcas Web: 一种社区驱动的推进计算化学的方法
err2023-05-22
err127
errOAAI
errManni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
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A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates
err2023-04-28
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PREAI
errKaiser, Andy; Daoud, Razan E.; Aquilante, Francesco; Kuhn, Oliver; De Vico, Luca; Bokarev, Sergey I.
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Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?
err2023-01-01
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errOAAI
errZobel, J. Patrick; Kruse, Ayla; Baig, Omar; Lochbrunner, Stefan; Bokarev, Sergey I. I.; Kuehn, Oliver; Gonzalez, Leticia; Bokareva, Olga S. S.
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Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center
err2022-06-23
err16
errOAAI
errTenorio, Bruno Nunes Cabral; Voss, Torben Arne; Bokarev, Sergey, I; Decleva, Piero; Coriani, Sonia
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Effect of chemical structure on the ultrafast spin dynamics in core-excited states
err2020-07-28
err4
errOAAI
errKochetov, Vladislav; Wang, Huihui; Bokarev, Sergey, I
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OpenMolcas: From Source Code to Insight
err2019-09-11
err806
errOAAI
errGalvan, Ignacio Fdez; 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, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
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Simulating vibronic spectra via Matsubara-like dynamics: Coping with the sign problem
err2018-11-20
err11
errOAAI
errKarsten, Sven; Ivanov, Sergei D.; Bokarev, Sergey I.; Kuehn, Oliver
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Quasi-classical approaches to vibronic spectra revisited
err2018-01-22
err16
errOAAI
errKarsten, Sven; Ivanov, Sergei D.; Bokarev, Sergey I.; Kuehn, Oliver
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A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy
err2017-06-12
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errOAAI
errKarsten, Sven; Bokarev, Sergey I.; Aziz, Saadullah G.; Ivanov, Sergei D.; Kuhn, Oliver
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Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling (vol 143, 074104, 2015)
err2016-08-24
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errOAAI
errGrell, Gilbert; Bokarev, Sergey I.; Winter, Bernd; Seidel, Robert; Aziz, Emad F.; Aziz, Saadullah G.; Kuehn, Oliver
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