Abstract
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.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Rights and permissions
Copyright information
© 2007 Springer-Verlag Berlin Heidelberg
About this chapter
Cite this chapter
(2007). From the Schrödinger Equation to Molecular Dynamics. In: Numerical Simulation in Molecular Dynamics. Texts in Computational Science and Engineering, vol 5. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-68095-6_2
Download citation
DOI: https://doi.org/10.1007/978-3-540-68095-6_2
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-68094-9
Online ISBN: 978-3-540-68095-6
eBook Packages: Mathematics and StatisticsMathematics and Statistics (R0)