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Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method.

Thomas FoxNotker RöschRandy J. Zauhar
Published in: J. Comput. Chem. (1993)
Keyphrases
  • finite element method
  • finite element
  • numerical simulations
  • boundary conditions
  • numerical methods
  • numerical solution
  • lower bound
  • particle swarm optimization
  • temperature field
  • diffuse optical tomography