articleTop 10% cited
Implementation of surface hopping molecular dynamics using semiempirical methods
Chemical Physics · 2008 · Vol. 349(1-3) · pp. 334–347
Eduardo Fabiano✉(Max Planck Society)Thomas W. Keal(Max Planck Society)Walter Thiel(Max Planck Society)
Spectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesMolecular spectroscopy and chiralitySurface hoppingChemistryHamiltonian (control theory)MNDOElectronic structureAb initioMolecular dynamicsConfiguration interactionContext (archaeology)Quantum
Funding
- Deutsche Forschungsgemeinschaft
Citations
256
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The Journal of Chemical Physics · 1990 · 3,947 citations
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A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters
The Journal of Chemical Physics · 1982 · 3,939 citations
Numerical recipes in C: the art of scientific computing
Choice Reviews Online · 1993 · 17,990 citations
Numerical recipes in Pascal: the art of scientific computing
Choice Reviews Online · 1990 · 11,805 citations
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