Density Functional Theory is a mainstream electronic structure theory of many-electron systems, which has achieved a high-level sophistication. In this theory, everything is known except for the exchange-correlation component, which has to be approximated as a functional of the electron density. Therefore, the subject of this theory has been the development of more accurate exchange-correlation functionals. This book is based on the dissertation of the author for his graduate study at Tulane University. In this book, the author describes the theoretical underpinnings of the theory. Then he discusses how to develop accurate density functionals with constraint satisfaction approach. The method is illustrated with the construction of accurate density functionals. Some of the work (chapter 7) is presented for the first time. Inspired by the work discussed in this book, he and collaborators developed a uniformly-accurate meta-generalized gradient approximation called TPSS functional (from the authors' initials), which has been coded in all major computer programs and has been widely used in electronic structure calculations.
Density Functional Theory of Atoms, Molecules, and Solids
RRP:
$94.75
$76.00
Description
Density Functional Theory is a mainstream electronic structure theory of many-electron systems, which has achieved a high-level sophistication. In this theory, everything is known except for the exchange-correlation component, which has to be approximated as a functional of the electron density. Therefore, the subject of this theory has been the development of more accurate exchange-correlation functionals. This book is based on the dissertation of the author for his graduate study at Tulane University. In this book, the author describes the theoretical underpinnings of the theory. Then he discusses how to develop accurate density functionals with constraint satisfaction approach. The method is illustrated with the construction of accurate density functionals. Some of the work (chapter 7) is presented for the first time. Inspired by the work discussed in this book, he and collaborators developed a uniformly-accurate meta-generalized gradient approximation called TPSS functional (from the authors' initials), which has been coded in all major computer programs and has been widely used in electronic structure calculations.
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing...
This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners'...
The Advanced Study Institute on 'Elementary Excitations in Solids, Molecules, and Atoms' was held at the University of Antwerp (U.I.A.) from June 18th till June 30th 1973. The In stitute was...
Often, a new area of science grows at the confines between recognised subject divisions, drawing upon techniques and intellectual perspectives from a diversity of fields. Such growth can remain...
Discover your next great read at BookLoop, Australiand online bookstore offering a vast selection of titles across various genres and interests. Whether you're curious about what's trending or searching for graphic novels that captivate, thrilling crime and mystery fiction, or exhilarating action and adventure stories, our curated collections have something for every reader. Delve into imaginative fantasy worlds or explore the realms of science fiction that challenge the boundaries of reality. Fans of contemporary narratives will find compelling stories in our contemporary fiction section. Embark on epic journeys with our fantasy and science fiction titles,
Shop Trending Books and New Releases
Explore our new releases for the most recent additions in romance books, fantasy books, graphic novels, crime and mystery books, science fiction books as well as biographies, cookbooks, self help books, tarot cards, fortunetelling and much more. With titles covering current trends, booktok and bookstagram recommendations, and emerging authors, BookLoop remains your go-to local australian bookstore for buying books online across all book genres.
Shop Best Books By Collection
Stay updated with the literary world by browsing our trending books, featuring the latest bestsellers and critically acclaimed works. Explore titles from popular brands like Minecraft, Pokemon, Star Wars, Bluey, Lonely Planet, ABIA award winners, Peppa Pig, and our specialised collection of ADHD books. At BookLoop, we are committed to providing a diverse and enriching reading experience for all.
Sign In
your cart
Your cart is empty
Menu
Search
PRE-SALES
If you have any questions before making a purchase chat with our online operators to get more information.
