Catalogue

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Molecular interactions : concepts and methods /
David A. Micha, University of Florida, Gainsville.
imprint
Hoboken, NJ : John Wiley & Sons, Inc., 2020.
description
xiv, 385 pages ; 24 cm
ISBN
0470290749, 9780470290743, 9781119319023, 9781119319078
format(s)
Book
Holdings
More Details
imprint
Hoboken, NJ : John Wiley & Sons, Inc., 2020.
isbn
0470290749
9780470290743
9781119319023
9781119319078
abstract
"Chapters in this book begin with coverage of the concepts and methods for simpler systems, then move on to more advanced subjects for complex systems. Each chapter begins with qualitative aspects before these are treated in quantitative fashion. The first four chapters include the established concepts and quantitative aspects of long-range (electrostatic, induction and dispersion) forces and how they extend to intermediate and short ranges, for ground and excited states. They are followed by chapters dealing with recent developments including electronically non-adiabatic interactions, correlated many-electron treatments, generalized density functional theory, decomposition and embedding of molecular fragments for large systems, and very recent developments using artificial intelligence with network training for many-atom systems"--
catalogue key
13213607
 
Includes bibliographical references and index.

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