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physics.chem-ph2024
Short-time Accuracy and Intra-electron Correlation for Nonadiabatic Quantum-Classical Mapping Approaches
Haifeng Lang, Philipp Hauke
Nonadiabatic quantum-classical mapping approaches have significantly gained in popularity in the past several decades because they have acceptable accuracy while remaining numerica…
physics.chem-ph2024
Time-dependent orbital-optimized coupled-cluster methods families for fermion-mixtures dynamics
Haifeng Lang, Takeshi Sato
Five time-dependent orbital optimized coupled-cluster (TD-ooCC) methods, of which four can converge to the complete active space self-consistent-field method, are presented for fer…