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Time-Dependent Density Functional Theory (Lecture Notes in Physics)From Springer
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The year 2004 was a remarkable one for the growing ?eld of time-dependent density functional theory (TDDFT). Not only did we celebrate the 40th - niversary of the Hohenberg-Kohn paper, which had laid the foundation for ground-state density functional theory (DFT), but it was also the 20th - niversary of the work by Runge and Gross, establishing a ?rm footing for the time-dependent theory. Because the ?eld has grown to such prominence, and has spread to so many areas of science (from materials to biochemistry), we feel that a volume dedicated to TDDFT is most timely. TDDFT is based on a set of ideas and theorems quite distinct from those governingground-stateDFT,butemployingsimilar techniques.Itisfarmore than just applying ground-state DFT to time-dependent problems, as it - volves its own exact theorems and new and di?erent density functionals. Presently,themostpopularapplicationistheextractionofelectronicexcit- state properties, especially transition frequencies. By applying TDDFT after thegroundstateofamoleculehasbeenfound,wecanexploreandunderstand the complexity of its spectrum, thus providing much more information about the species. TDDFT has a especially strong impact in the photochemistry of biological molecules, where the molecules are too large to be handled by t- ditional quantum chemical methods, and are too complex to be understood with simple empirical frontier orbital theory.
- Sales Rank: #13025005 in Books
- Published on: 2010-11-23
- Original language: English
- Number of items: 1
- Dimensions: 9.50" h x 6.25" w x 1.25" l, .0 pounds
- Binding: Paperback
- 555 pages
Review
From the reviews:
"Time-Dependent Density Functional Theory represents a concise overview of the field … . this is a well-structured text, with a common set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Because of its clear organization, the book can be used by novices (basic knowledge of ground-state DFT is assumed) and experienced users of TD-DFT, as well as developers in the field." (Anna I. Krylov, Journal of the American Chemical Society, Vol. 129 (21), 2007)
"The reviewed book is a broad reflection of the current state of the TD DFT and summary of its achievements since 1984. It is naturally partitioned into the chapters that outline the formal theoretical approach of the TD DFT … . To summarize, the book ‘Time-Dependent Density Functional Theory’ is a valuable book for those, PhD students in particular, who are interested in the whole spectrum of problems related to density functional theory and its broad applications to many-body quantum theory." (Eugene Kryachko, Zentralblatt MATH, Vol. 1110 (12), 2007)
From the Back Cover
Time-dependent density functional theory (TDDFT) is based on a set of ideas and theorems quite distinct from those governing� ground-state DFT, but emphasizing similar techniques. Today, the use of TDDFT is rapidly growing in many areas of physics, chemistry and materials sciences where direct solution of the Schr�dinger equation is too demanding. This is�the first comprehensive, textbook-style introduction to the relevant basics and techniques.
Most helpful customer reviews
1 of 1 people found the following review helpful.
Must Read!
By David Tempel
This book is a treasure of knowledge and I highly recommend it. Although it is a compilation of chapters written by many different leading researchers involved in development and application of TDDFT, the contributors have taken great care to make sure the book is pedagogically sound and the chapters compliment each other (it is not just a collection of isolated articles). For this reason I think it will be invaluable to a wide audience with diverse backgrounds. It is highly accessible to any graduate student of Chemistry or Physics with a solid grounding in many particle quantum mechanics, wishing to understand both the fundamental theory as well as the exponentially growing number of applications. The reader will be introduced to a wide spectrum of ideas ranging from rigorous existence and uniqueness proofs to understanding the structure of the substance that gives Lobster shells their red color. Although knowledge of groundstate DFT will definitely give the reader added appreciation of this book, it is self-contained and one learns a fair amount of groundstate DFT along the way from a different perspective. In fact, reading this book might even change the way you think about time-dependent quantum mechanics itself! Reference to experiment is made throughout and the reader will come away with an honest picture of the theory; both its spectacular successes as well as future challenges. In any case, no matter what your background is, it is a must read and an excellent reference to have on your shelf.
1 of 1 people found the following review helpful.
great book
By Arun Rajam
This book is worth buying whether you are a newcomer or a current researcher in the field of TDDFT. It covers the fundamental concepts as well as the recent updates on the research in this field. All the chapters are written by leading scientists in the field. It is quite rare to find lectures of so many of the current researchers of a field
together in one book, coherently organized with uniform mathematical notation throughout. The chapters on the memory effect, linear response,beyond linear response and current density functional theory are very well written and explained in much detail. The chapters on the applications of TDDFT beyond linear response are also nicely explained and give a clear idea on the successes and challenges of TDDFT to the reader. All in all, this book is great for readers interested in learning and exploring more about TDDFT
2 of 7 people found the following review helpful.
The critical parts
By William Kirk
Normally on books covering relatively new techniques, some space is given, especially in the basic chapters (as opposed to applied -- in fact the basic chapters are really the most advanced) to problems, whether eexperimental or more fundamental and theoretical, with the model. Such is hardly to be found here. In fact a recent article I saw mentioned that oscillator strengths found in 'velocity' are often not identical with those found from 'lengths', i.e. transition momentum representation versus transition moment representation. In reality, this cannot be true. Thus, there is something fundamentally wrong with the method whenever this happens. It would be nice if a critical account of this were presented. In fact I believe it does all track down to the fact that in ALL DFT methods, one eschews complex-valued functions. In some cases, i.e. Klein-Gordan field-wavefunctions one can simply double up the number of variables, and it makes little difference. Here however, one cannit. The correct radiation Hamiltonian utilizes p/dot/A where A is the vector potential and p the electron momentum. The object over which this operator acts are *spinors*, if they are represented as real, they are 4x4 matrices, if they are represented as complex, they are 2-complex dimensional bivectors. Dirac was well aware that it is impossible to represent interaction with the electromagnetic field in a causal, relativistic theory linear in the covariant space-time derivatives using only real numbers. Q.E.D. Without some very fancy approximation methods, ANY DFT, including TDDFT, is bound to fail. Things get even worse with gauge invariance (perchance as in circular dichroism). Since the vector potential is not always a well defined object, people now talk about gauge connections of the U1 fibre bundle. This object IS well defined in a larger variety of problems. Unfortunately, it really does require one to keep trakc of phases in a complex space. Other relativistic effects could also be expected to suffer with DFT treatments.
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