Theoretical and Computational Chemistry
De Gruyter (Verlag)
978-3-11-161008-5 (ISBN)
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The mathematical structure of gauge theory is a union of many modern algebraic concepts.
The book provides the background to understand gauge theory and use it in computational chemistry.
It introduces two powerful methods used in modern computational chemistry: The Diffusion Monte Carlo
algorithm and Ring Polymer Molecular Dynamics. Gauge theory is used to derive a convergent version
of the ground state probability amplitude approach for the simulation of excited states.
Contains some recent advances in theoretical and computational chemistry. Clear, coherently written
explanation of the various background mathematical concepts. Accessible to undergraduate
students with many exercises for readers to achieve mastery of the subjects.
Emanuele Curotto, Arcadia University, USA.
| Erscheint lt. Verlag | 15.3.2026 |
|---|---|
| Reihe/Serie | De Gruyter Textbook |
| Zusatzinfo | 28 b/w and 10 col. ill., 9 b/w tbl. |
| Verlagsort | Berlin |
| Sprache | englisch |
| Maße | 170 x 240 mm |
| Gewicht | 500 g |
| Themenwelt | Naturwissenschaften ► Chemie |
| Schlagworte | Diffusion Monte Carlo Algorithms • Ring Polymer Molecular Dynamics. |
| ISBN-10 | 3-11-161008-X / 311161008X |
| ISBN-13 | 978-3-11-161008-5 / 9783111610085 |
| Zustand | Neuware |
| Informationen gemäß Produktsicherheitsverordnung (GPSR) | |
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