Thermodynamic Extension of Density-functional Theory
by Robert Balawender, Andrzej Holas
Publisher: arXiv 2012
Number of pages: 144
Description:
Density-functional theory is a rigorous approach for describing the ground state of any electronic system. 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 functional theory.
Download or read it online for free here:
Download link 1
Download link 2
Download link 3
(multiple PDF files)
Similar books
Quantum Chemistryby 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.
(9578 views)
Advanced Chemical Kineticsby Muhammad Akhyar Farrukh (ed.) - InTech
The book on Advanced Chemical Kinetics gives insight into different aspects of chemical reactions both at the bulk and nanoscale level. Sections: Kinetics Modeling and Mechanism, Kinetics of Nanomaterials, Kinetics Techniques.
(3144 views)
Introductory Physical Chemistryby David Ronis - McGill University
Topics: Probability and Statistics; The Maxwell-Boltzmann Distribution; Collision Rates, Diffusion and Viscosity; Collision Theory of the Rate Constant; First Law of Thermodynamics; Thermochemistry; Ideal Gas Carnot Engines and Efficiency; etc.
(7979 views)
Physical Chemistry in Briefby J.P. Novak, S. Labik, I. Malijevska - Institute of Chemical Technology, Prague
The book covers the fundamental concepts of physical chemistry: state behaviour of gases, liquids, and solids, chemical thermodynamics, phase equilibrium, chemical equilibrium, electrochemistry, chemical kinetics and transport processes, etc.
(8023 views)