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Molecular interactions : concepts and methods / David A. Micha.

By: Material type: TextTextPublisher: Hoboken, NJ : John Wiley & Sons, Inc., [2020]Edition: First editionDescription: 1 online resourceContent type:
  • text
Media type:
  • computer
Carrier type:
  • online resource
ISBN:
  • 9781119319078
  • 1119319072
  • 9781119319085
  • 1119319080
  • 1119319021
  • 9781119319023
Subject(s): Genre/Form: Additional physical formats: Print version:: Molecular interactionsDDC classification:
  • 541/.224 23
LOC classification:
  • QD461 .M53 2020
Online resources: 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"-- Provided by publisher.
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Includes index.

"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"-- Provided by publisher.

Description based on online resource; title from digital title page (viewed on January 23, 2020).

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