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Reference Energies for Valence Ionizations and Satellite Transitions
Antoine Marie, Pierre‐François Loos
Centre National de la Recherche Scientifique Université Toulouse III - Paul Sabatier Université Fédérale de Toulouse Midi-Pyrénées Laboratoire de Chimie et Physique Quantiques
来源Journal of Chemical Theory and Computation
年份2024
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-matrix) for IPs are also analyzed. Their limitations in correctly modeling satellite transitions are discussed.
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物理Advanced Chemical Physics Studies
Mass Spectrometry Techniques and Applications · Photochemistry and Electron Transfer Studies
参考文献 413
Full configuration interaction potential energy curves for the X 1Σg+, B 1Δg, and B′ 1Σg+ states of C2: A challenge for approximate methods
被引 139Micah L. Abrams, C. David Sherrill · The Journal of Chemical Physics · 2004
On the dangers of partial diagrammatic summations: Benchmarks for the two-dimensional Hubbard model in the weak-coupling regime
被引 79Jan Gukelberger, Li Huang, Philipp Werner · Physical Review B · 2015
Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2)
被引 493Christof Hättig · Advances in quantum chemistry · 2005
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The Amsterdam Modeling Suite
被引 146Evert Jan Baerends, Néstor F. Aguirre, Nick D. Austin · The Journal of Chemical Physics · 2025
Reference Energies for Double Excitations: Improvement and Extension
被引 28Fábris Kossoski, Martial Boggio‐Pasqua, Pierre‐François Loos · Journal of Chemical Theory and Computation · 2024
QUEST Database of Highly-Accurate Excitation Energies
被引 25Pierre‐François Loos, Martial Boggio‐Pasqua, Aymeric Blondel · Journal of Chemical Theory and Computation · 2025
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