Nikolay A. Bogdanov
- Recent developments in the PySCF program package
2020/07/09 by Qiming Sun, Xing Zhang, Samragni Banerjee +53 · 219 citations
Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Machine Learning in Materials Science
- Spin-orbit-lattice entangled state in A2MgReO6 (A = Ca, Sr, Ba) revealed by resonant inelastic X-ray scattering
2023/11/02 by Felix I. Frontini, Frontini, Felix I., Graham Johnstone +17 · 4 citations
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci) #Strongly Correlated Electrons (cond-mat.str-el)
- Ab initio wavefunction analysis of electron removal quasi-particle state of NdNiO2 with fully correlated quantum chemical methods
2022/01/14 by Vamshi M. Katukuri, Nikolay A. Bogdanov, Katukuri, Vamshi M. +3 · 1 citation
Physics and Astronomy · Materials Science · #Physics of Superconductivity and Magnetism #Magnetic and transport properties of perovskites and related materials #Quantum many-body systems
- Aperiodic defects in periodic solids
2024/06/05 by Robert H. Lavroff, Daniel Kats, Lavroff, Robert H. +11 · 1 citation
Chemistry · Materials Science · #Chemical Physics (physics.chem-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #History and advancements in chemistry #Materials Science (cond-mat.mtrl-sci) #Quasicrystal Structures and Properties #Strongly Correlated Electrons (cond-mat.str-el)
- Transcorrelated Methods for Multireference Problems
2025/05/26 by J. Philip Haupt, Haupt, J. Philip, Evelin Martine Corvid Christlmaier +9 · 4 citations
Mathematics · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Numerical methods in inverse problems #Statistical and numerical algorithms