Analysis of parametric functionals in semiempirical approaches using simulation techniques

Article

Abstract: In this work a comparative study of energy functional components of a parametric Hamiltonian (H(pa))

Palabras claves:

Model Hamiltonian, Parametric Hamiltonian, Parametrization, Semiempirical methods, Simulation techniques

Autores:

Juan Primera, Juan Ramón Primera Ferrer, Romero M., Ruette F., Sánchez M., Sierraalta A.

Fuentes:

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scopus