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Author | Title | Accn# | Year | Item Type | Claims |
| 1 |
Fiolhais, Carlos |
A Primer in Density Functional Theory |
I11245 |
2003 |
eBook |
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| 2 |
Marques, Miguel A.L |
Time-Dependent Density Functional Theory |
I07588 |
2006 |
eBook |
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| 3 |
Marques, Miguel A.L |
Fundamentals of Time-Dependent Density Functional Theory |
I05565 |
2012 |
eBook |
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1.
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| Title | A Primer in Density Functional Theory |
| Author(s) | Fiolhais, Carlos;Nogueira, Fernando;Marques, Miguel A.L |
| Publication | Berlin, Heidelberg, Springer Berlin Heidelberg, 2003. |
| Description | XIII, 258 p : online resource |
| Abstract Note | Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field |
| ISBN,Price | 9783540370727 |
| Keyword(s) | 1. Atomic structure????
2. Atomic/Molecular Structure and Spectra
3. Chemistry, Physical and theoretical
4. CONDENSED MATTER
5. CONDENSED MATTER PHYSICS
6. EBOOK
7. EBOOK - SPRINGER
8. MATHEMATICAL PHYSICS
9. Molecular structure??
10. QUANTUM PHYSICS
11. Theoretical and Computational Chemistry
12. Theoretical, Mathematical and Computational Physics
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I11245 |
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On Shelf |
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2.
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| Title | Time-Dependent Density Functional Theory |
| Author(s) | Marques, Miguel A.L;Ullrich, Carsten A;Nogueira, Fernando;Rubio, Angel;Burke, Kieron;Gross, Eberhard K. U |
| Publication | Berlin, Heidelberg, Springer Berlin Heidelberg, 2006. |
| Description | XXXIV, 555 p : online resource |
| Abstract Note | 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 |
| ISBN,Price | 9783540354260 |
| Keyword(s) | 1. Chemistry, Physical and theoretical
2. EBOOK
3. EBOOK - SPRINGER
4. MATERIALS SCIENCE
5. Materials Science, general
6. MATHEMATICAL PHYSICS
7. QUANTUM PHYSICS
8. Theoretical and Computational Chemistry
9. Theoretical, Mathematical and Computational Physics
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I07588 |
|
|
On Shelf |
|
|
|
|
|
3.
| |
| Title | Fundamentals of Time-Dependent Density Functional Theory |
| Author(s) | Marques, Miguel A.L;Maitra, Neepa T;Nogueira, Fernando M.S;Gross, E.K.U;Rubio, Angel |
| Publication | Berlin, Heidelberg, Springer Berlin Heidelberg, 2012. |
| Description | XXXII, 559 p. 72 illus : online resource |
| Abstract Note | There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way. ??First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms???such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. From the reviews of LNP 706: ???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) ?????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 complement each other [...]. 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. [...]?? In any case, no matter what your background is, it is a must-read and an excellent reference to have on your shelf.??? Amazon.com, October 15, 2008, David Tempel (Cambridge, MA) |
| ISBN,Price | 9783642235184 |
| Keyword(s) | 1. Atomic structure????
2. Atomic/Molecular Structure and Spectra
3. Chemistry, Physical and theoretical
4. CONDENSED MATTER
5. CONDENSED MATTER PHYSICS
6. EBOOK
7. EBOOK - SPRINGER
8. Molecular structure??
9. Numerical and Computational Physics, Simulation
10. PHYSICS
11. Theoretical and Computational Chemistry
|
| Item Type | eBook |
Multi-Media Links
Please Click here for eBook
Circulation Data
| Accession# | |
Call# | Status | Issued To | Return Due On | Physical Location |
| I05565 |
|
|
On Shelf |
|
|
|
| |