Molecular interactions: concepts and methods
by Micha, David
"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 c…
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- Full title :Molecular interactions : concepts and methods / David A. Micha.
Summary
"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"--
Read More ↓Edition Statements
- Publication Date:2020
- Edition:First edition
Publication Statements
- Publisher(s):John Wiley & Sons, Inc
- Place of Publication:Hoboken, NJ
- Language:eng
- Publication Date:2020
The Physical Object
- Description:1 online resource
Edition Identifiers
- ISBN:9781119319078, 1119319072, 9781119319085, 1119319080, 1119319021, 9781119319023
- oclc:on1131872235
- LC Classification:QD461
- Dewey Decimal:541/.224
Table of Contents
Fundamental concepts -- Molecular properties -- Quantitative treatment of intermolecular forces -- Model potential functions -- Intermolecular states -- Many-electron treatments -- Interactions between two many-atom systems -- Interaction of molecules with surfaces.
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