Theoretical Modeling of Vibrational Spectra in the Liquid Phase [E-Book] / by Martin Thomas.
This thesis provides a comprehensive description of methods used to compute the vibrational spectra of liquid systems by molecular dynamics simulations. The author systematically introduces theoretical basics and discusses the implications of approximating the atomic nuclei as classical particles. T...
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Full text |
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Personal Name(s): | Thomas, Martin, author |
Imprint: |
Cham :
Springer,
2017
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Physical Description: |
XXXIV, 184 p. 65 illus., 28 illus. in color. online resource. |
Note: |
englisch |
ISBN: |
9783319496283 |
DOI: |
10.1007/978-3-319-49628-3 |
Series Title: |
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Springer Theses, Recognizing Outstanding Ph.D. Research
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Subject (LOC): |
- Introduction
- Theoretical Background
- Methodological Developments
- Applications
- Conclusion and Outlook
- Computational Details
- Mathematical Derivations
- The Method of Imaginary Time Propagation.