Share

Electronic Structure Methods for Complex Materials

2012-05-17 Science
Download Electronic Structure Methods for Complex Materials PDF Online Free

Author :
Release : 2012-05-17
Genre : Science
Kind : eBook
Book Rating : 065/5 ( reviews)

GET EBOOK


Book Synopsis Electronic Structure Methods for Complex Materials by : Wai-Yim Ching

Download or read book Electronic Structure Methods for Complex Materials written by Wai-Yim Ching. This book was released on 2012-05-17. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

Electronic Structure Methods for Complex Materials

2012-05-17 Science
Download Electronic Structure Methods for Complex Materials PDF Online Free

Author :
Release : 2012-05-17
Genre : Science
Kind : eBook
Book Rating : 800/5 ( reviews)

GET EBOOK


Book Synopsis Electronic Structure Methods for Complex Materials by : Wai-Yim Ching

Download or read book Electronic Structure Methods for Complex Materials written by Wai-Yim Ching. This book was released on 2012-05-17. Available in PDF, EPUB and Kindle. Book excerpt: This book details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specializes in large and complex models and is able to compute a variety of useful properties including electronic, optical, and spectroscopic properties.

Electronic Structure Studies and Method Development for Complex Materials

2015
Download Electronic Structure Studies and Method Development for Complex Materials PDF Online Free

Author :
Release : 2015
Genre :
Kind : eBook
Book Rating : 919/5 ( reviews)

GET EBOOK


Book Synopsis Electronic Structure Studies and Method Development for Complex Materials by :

Download or read book Electronic Structure Studies and Method Development for Complex Materials written by . This book was released on 2015. Available in PDF, EPUB and Kindle. Book excerpt:

Electronic Structure of Materials

2013-07-23 Science
Download Electronic Structure of Materials PDF Online Free

Author :
Release : 2013-07-23
Genre : Science
Kind : eBook
Book Rating : 706/5 ( reviews)

GET EBOOK


Book Synopsis Electronic Structure of Materials by : Rajendra Prasad

Download or read book Electronic Structure of Materials written by Rajendra Prasad. This book was released on 2013-07-23. Available in PDF, EPUB and Kindle. Book excerpt: Most textbooks in the field are either too advanced for students or don't adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work.Developed from the author's lecture

The Electronic Structure of Complex Systems

2012-12-06 Science
Download The Electronic Structure of Complex Systems PDF Online Free

Author :
Release : 2012-12-06
Genre : Science
Kind : eBook
Book Rating : 05X/5 ( reviews)

GET EBOOK


Book Synopsis The Electronic Structure of Complex Systems by : P. Phariseau

Download or read book The Electronic Structure of Complex Systems written by P. Phariseau. This book was released on 2012-12-06. Available in PDF, EPUB and Kindle. Book excerpt: We present here the transcripts of lectures and talks which were delivered at the NATO ADVANCED STUDY INSTITUTE "Electronic Structure of Complex Systems" held at the State University of Ghent, Belgium during the period July 12-23, 1982. The aim of these lectures was to highlight some of the current progress in our understanding of the electronic structure of com plex systems. A massive leap forward is obtained in bandstructure calculations with the advent of linear methods. The bandtheory also profitted tremendously from the recent developments in the density functional theories for the properties of the interacting electron gas in the presence of an external field of ions. The means of per forming fast bandstructure calculations and the confidence in the underlying potential functions have led in the past five years or so to a wealth of investigations into the electronic properties of elemental solids and compounds. The study of the trends of the electronic structure through families of materials provided invalu able insights for the prediction of new materials. The detailed study of the electronic structure of specific solids was not neglected and our present knowledge of d- and f-metals and metal hydrides was reviewed. For those systems we also investi gated the accuracy of the one electron potentials in fine detail and we complemented this with the study of small clusters of atoms where our calculations are amenable to comparison with the frontiers of quantum chemistry calculations.

You may also like...