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Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules.

François MaugerCristel ChandreMette B. GaardeKenneth LopataKenneth J. Schafer
Published in: Commun. Nonlinear Sci. Numer. Simul. (2024)
Keyphrases
  • theoretical framework
  • evolution equation
  • close relation
  • neural network
  • image processing
  • lower bound
  • evolutionary algorithm
  • mathematical model
  • dynamical systems
  • general theory
  • chaotic dynamics