Home | My Profile | Contact Us
Research Trends Products  |   order gateway  |   author gateway  |   editor gateway  
ID:
Password:
Register | Forgot Password

Author Resources
 Author Gateway
 Article submission guidelines

Editor Resources
 Editor/Referee Gateway

Agents/Distributors
 Regional Subscription Agents/Distributors
 
Trends in Chemical Physics   Volumes    Volume 12 
Abstract
On intermolecular and thermodynamic potentials. A unified treatment
Bruno Linder, Yolanda von Bergen, Rafael von Bergen
Pages: 73 - 82
Number of pages: 10
Trends in Chemical Physics
Volume 12 

Copyright © 2005 Research Trends. All rights reserved

ABSTRACT

In recent years, density-functional theories have been widely used in treatments of electronic problems, ranging from small molecules to solids.  But density- functions, in some form or other, have been used in other endeavors before, in particular, in the treatment of intermolecular forces and also in the development of thermodynamic potentials. This paper reviews the salient points of the theory of intermolecular forces, obtained on the basis of the reaction-potential approach and formulated in terms of charge-density and charge-density susceptibilities (or non-local polarizabilties). The treatment is illustrated by application to rotationally averaged intermolecular forces of polar molecules, and formulations for electrostatic, polarization and dispersion interactions are discussed in some detail. Finally, the formalism is generalized to include translational interactions and a unified treatment is presented of intermolecular and thermodynamic potentials of fluids. The latter is expressed   in terms of   molecule-density expectation values, molecule-density susceptibilities and intermolecular potentials. It is shown that for a classical fluid, the free energy is consistent with the standard statistical mechanical formulation within the RPA (random phase) approximation.

Buy this Article


 
search


E-Commerce
Buy this article
Buy this volume
Subscribe to this title
Shopping Cart

Quick Links
Login
Search Products
Browse in Alphabetical Order : Journals
Series/Books
Browse by Subject Classification : Journals
Series/Books

Miscellaneous
Ordering Information Ordering Information
Downloadable forms Downloadable Forms