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.
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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 Johannes Grotendorst - NIC
In this volume, experts from the fields of quantum chemistry, computer science and applied mathematics, present recent methodological and computational advances to research students in the field of theoretical chemistry and their applications.
by Samuel Glasstone - Affiliated East West Press
The object of this book is to provide an introduction to electrochemistry in its present state of development. The book is suited to the needs of students of physical chemistry, and to those of chemists, physicists and physiologists.
by S. Wilson
This text is concerned with the application of the many-body perturbation theory to arbitrary molecular systems. The method is computationally more efficient than other schemes and has a number of theoretical properties which make it attractive.