Abstract
In Chapter 3 we have outlined the basic concepts of Quantum Mechanics and developed the corresponding computational scheme. Therefore, supposedly, we should now be able to obtain the wave function and the energy of a given molecule, the association of two molecules, or even a collection of molecules (identical or not). We must realize, of course, that this statement, though correct in principle, does not reflect the reality, considering the many practical difficulties to be encountered in the implementation of those computational schemes.
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© 1995 Springer-Verlag Berlin Heidelberg
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Fraga, S., Parker, J.M.R., Pocock, J.M. (1995). Statistical Mechanics. In: Computer Simulations of Protein Structures and Interactions. Lecture Notes in Chemistry, vol 66. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-51499-9_4
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DOI: https://doi.org/10.1007/978-3-642-51499-9_4
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-60133-3
Online ISBN: 978-3-642-51499-9
eBook Packages: Springer Book Archive