In particle methods, the laws of classical mechanics [48, 371] are used, in particular Newton's second law. In this chapter we will pursue the question why it makes sense to apply the laws of classical mechanics, even though one should use the laws of quantum mechanics. Readers that are more interested in the algorithmic details or in the implementation of algorithms in molecular dynamics can skip this chapter.
CITATION STYLE
From the Schrödinger Equation to Molecular Dynamics. (2007). In Numerical Simulation in Molecular Dynamics (pp. 17–36). Springer Berlin Heidelberg. https://doi.org/10.1007/978-3-540-68095-6_2
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