N
Nikolay A. Bogdanov
Researcher at Max Planck Society
Publications - 27
Citations - 1698
Nikolay A. Bogdanov is an academic researcher from Max Planck Society. The author has contributed to research in topics: Electronic structure & Ground state. The author has an hindex of 12, co-authored 22 publications receiving 995 citations. Previous affiliations of Nikolay A. Bogdanov include Leibniz Institute for Solid State and Materials Research & National University of Science and Technology.
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Journal ArticleDOI
OpenMolcas : From Source Code to Insight
Ignacio Fdez. Galván,Morgane Vacher,Ali Alavi,Celestino Angeli,Francesco Aquilante,Jochen Autschbach,Jie J. Bao,Sergey I. Bokarev,Nikolay A. Bogdanov,Rebecca K. Carlson,Liviu F. Chibotaru,Joel Creutzberg,Joel Creutzberg,Nikesh S. Dattani,Mickaël G. Delcey,Sijia S. Dong,Andreas Dreuw,Leon Freitag,Luis Manuel Frutos,Laura Gagliardi,Frédéric Gendron,Angelo Giussani,Angelo Giussani,Leticia González,Gilbert Grell,Meiyuan Guo,Chad E. Hoyer,Marcus Johansson,Sebastian Keller,Stefan Knecht,Goran Kovačević,Erik Källman,Giovanni Li Manni,Marcus Lundberg,Yingjin Ma,Sebastian Mai,João Pedro Malhado,Per-Åke Malmqvist,Philipp Marquetand,Stefanie A. Mewes,Stefanie A. Mewes,Jesper Norell,Massimo Olivucci,Massimo Olivucci,Massimo Olivucci,Markus Oppel,Quan Manh Phung,Kristine Pierloot,Felix Plasser,Markus Reiher,Andrew M. Sand,Igor Schapiro,Prachi Sharma,Christopher J. Stein,Lasse Kragh Sørensen,Donald G. Truhlar,Mihkel Ugandi,Liviu Ungur,Alessio Valentini,Steven Vancoillie,Valera Veryazov,Oskar Weser,Tomasz Adam Wesolowski,Per-Olof Widmark,Sebastian Wouters,Alexander Zech,J. Patrick Zobel,Roland Lindh +67 more
TL;DR: The OpenMolcas environment is described and features unique to simulations of spectroscopic and magnetic phenomena such as the exact semiclassical description of the interaction between light and matter, various X-ray processes, magnetic circular dichroism and properties are described.
Journal ArticleDOI
Recent developments in the PySCF program package
Qiming Sun,Xing Zhang,Samragni Banerjee,Peng Bao,Marc Barbry,Nick S. Blunt,Nikolay A. Bogdanov,George H. Booth,Jia Chen,Zhi-Hao Cui,Janus J. Eriksen,Yang Gao,Sheng Guo,Jan Hermann,Matthew R. Hermes,Kevin Koh,Peter Koval,Susi Lehtola,Zhendong Li,Junzi Liu,Narbe Mardirossian,James McClain,Mario Motta,Bastien Mussard,Hung Q. Pham,Artem Pulkin,Wirawan Purwanto,Paul J. Robinson,Enrico Ronca,Elvira R. Sayfutyarova,Maximilian Scheurer,Henry F. Schurkus,James E. T. Smith,Chong Sun,Shi Ning Sun,Shiv Upadhyay,Lucas K. Wagner,Xiao Wang,Alec F. White,James D. Whitfield,Mark J. Williamson,Sebastian Wouters,Jun Yang,Jason M. Yu,Tianyu Zhu,Timothy C. Berkelbach,Sandeep Sharma,Alexander Yu. Sokolov,Garnet Kin-Lic Chan +48 more
TL;DR: PySCF as mentioned in this paper is a Python-based general-purpose electronic structure platform that supports first-principles simulations of molecules and solids as well as accelerates the development of new methodology and complex computational workflows.
Journal ArticleDOI
Kitaev exchange and field-induced quantum spin-liquid states in honeycomb α -RuCl 3
Ravi Yadav,Nikolay A. Bogdanov,Vamshi M. Katukuri,Satoshi Nishimoto,Jeroen van den Brink,Jeroen van den Brink,Liviu Hozoi +6 more
TL;DR: In this paper, it was shown that the Kitaev interaction is ferromagnetic, as in 5d5 iridium honeycomb oxides, and indeed defines the largest superexchange energy scale.
Journal ArticleDOI
Spin-orbit excitation energies, anisotropic exchange, and magnetic phases of honeycomb RuCl3
Ravi Yadav,Nikolay A. Bogdanov,Vamshi M. Katukuri,Satoshi Nishimoto,Jeroen van den Brink,Liviu Hozoi +5 more
TL;DR: The promise for spin-liquid behavior in the 4d5 honeycomb halide α-RuCl3 is discussed, and indications for a transition from zigzag order to a gapped spin liquid when applying magnetic field are found.
Journal ArticleDOI
Orbital reconstruction in nonpolar tetravalent transition-metal oxide layers
Nikolay A. Bogdanov,Vamshi M. Katukuri,Judit Romhányi,Viktor Yushankhai,Vladislav Kataev,Bernd Büchner,Bernd Büchner,Jeroen van den Brink,Liviu Hozoi +8 more
TL;DR: It is shown that the interplay of interlayer charge imbalance and ligand distortions provides a knob for tuning the sequence of electronic levels even in intrinsically stacked oxides, and highlights the tetravalent transition-metal 214 oxides as ideal platforms to explore d-orbital reconstruction in the context of oxide electronics.