Publisher: Wikibooks 2016
Number of pages: 169
This is a book on computer simulation of matter. In particular, it focuses on condensed matter (e.g., liquids). The book is built on the framework of statistical thermodynamics. It is intended to serve as the textbook for an advanced undergraduate / graduate physical chemistry course in molecular simulation.
Home page url
Download or read it online for free here:
by Robert Balawender, Andrzej Holas - arXiv
Topics: Basic Massieu function, its Legendre and Massieu-Planck transforms for equilibrium state in terms of density matrix; Finite-temperature ensemble spin-density functional theory; Zero-temperature limit of the ensemble spin-density theory.
by Peter E. Blöchl - TU Clausthal
This book shall provide some chemical insight for physicist and material scientists. It is devoted to simple concepts that only require back-on-the-envelope calculations. The emphasis is on qualitative considerations instead of accurate predictions.
by Kenneth R. Koehler - Raymond Walters College
This textbook is intended as a vehicle for students in the biological and chemical sciences, enabling them to understand the physical underpinnings of their later studies. The systems under investigation will relate to human physiology.
by S. M. Blinder, Elvera Baron - University of Michigan
This course is designed to introduce students to a thorough, research-oriented view of Physical Chemistry. Students will solve the Schroedinger equation in 1-, 2-, and 3-dimensions for several problems of interest in chemistry.