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Theoretical and Computational Chemistry
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Theoretical and Computational Chemistry : Gauge Theories for Chemical Physics and Excited State Methods

Book Details

Format Paperback / Softback
ISBN-10 311161008X
ISBN-13 9783111610085
Publisher De Gruyter
Imprint De Gruyter
Country of Manufacture GB
Country of Publication GB
Publication Date Mar 30th, 2026
Print length 396 Pages
Weight 652 grams
Ksh 13,150.00
Werezi Extended Catalogue 0 in stock

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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.


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