Thomas‐C. Jagau
- Coupled-cluster techniques for computational chemistry: The CFOUR program package
2020/06/03 by Devin A. Matthews, Lan Cheng, Michael E. Harding +6 · 35 citations
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Crystallography and molecular interactions #Machine Learning in Materials Science
- Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
2014/09/03 by Yihan Shao, Zhengting Gan, Evgeny Epifanovsky +97 · 2 citations
Physics and Astronomy · Chemical Engineering · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Catalysis and Oxidation Reactions
- Theory of electronic resonances: Fundamental aspects and recent advances
2022/03/29 by Thomas‐C. Jagau, Jagau, Thomas-C. · 4 citations
Physics and Astronomy · Biochemistry, Genetics and Molecular Biology · Materials Science · #Advanced Chemical Physics Studies #Electron Spin Resonance Studies #Boron and Carbon Nanomaterials Research
- A new strategy to optimize complex absorbing potentials for the computation of resonance energies and widths
2023/12/25 by Jerryman A. Gyamfi, Thomas‐C. Jagau, Gyamfi, Jerryman A. +1 · 4 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies
- Computing decay widths of autoionizing Rydberg states with complex-variable coupled cluster theory
2023/10/30 by Joel Creutzberg, Creutzberg, Joel, Wojciech Skomorowski +3 · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular spectroscopy and chirality #Spectroscopy and Quantum Chemical Studies