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Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part II: CASSCF
The computation of excited states within the Complete Active Space Self-Consistent Field (CASSCF) framework remains a significant …
L. Grazioli, H., T. Nottoli, F. Lipparini, E. Cancès
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Constrained dynamics for searching saddle points on general Riemannian manifolds
Finding constrained saddle points on Riemannian manifolds is significant for analyzing energy landscapes arising in physics and …
H., L. Grazioli
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