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

Format:

Book

Author/Creator:

Micha, David A., author.

Language:

English

Subjects (All):

Intermolecular forces.

Molecular dynamics.

Physical Description:

1 online resource (402 pages)

Place of Publication:

Hoboken, NJ : Wiley, 2020.

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.

Notes:

Description based on print version record.

ISBN:

9781119319078

1119319072

9781119319023

1119319021

9781119319085

1119319080