most citedCritical point search and linear response theory for computing electronic excitation energies of molecular systems. Part I: General framework, application to Hartree-Fock and DFT

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math.NA2026

Constrained dynamics for searching saddle points on embedded Riemannian submanifolds of Euclidean space

Yukuan Hu, Laura Grazioli

Finding constrained saddle points on embedded Riemannian submanifolds of Euclidean space is significant for analyzing energy landscapes arising in physics and chemistry. Existing w…