Planewaves, Pseudopotentials, and the LAPW Method

Book Description

With its extreme accuracy and reasonable computational efficiency, the linearized augmented plane wave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. The second edition of Planewaves, Pseudopotentials and the LAPW Method presents an updated, thorough and self-contained exposition of the first principles methods for calculating properties of solids, in particular the "LAPW" method and will make connections between this method and planewave pseudopotential approaches. Theory is discussed, but the emphasis is on how practical implementation proceeds. In addition, the author suggests future directions for adapting the LAPW method to simulations of complex materials requiring large unit cells. He does this by elucidating the connections between the LAPW method and planewave pseudopotential approaches and by showing how Car-Parrinello type algorithms can be adapted to the LAPW method. The new edition contains new sections on developments over the last 10 years, including for example the LDA+U method, non-collinear magnetism and the APW+LO method.

The Augmented Spherical Wave Method: A Comprehensive Treatment (Lecture Notes in Physics)

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The Augmented Spherical Wave Method: A Comprehensive Treatment (Lecture Notes in Physics)
Volker Eyert
Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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ASIN: 354071006X

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The Augmented Spherical Wave (ASW) method is one of the most powerful approaches for handling the requirements of finite basis sets in DFT calculations. While it is particularly suited for the calculation of the electronic, magnetic, and optical properties of solid-state materials, recent developments allow application, in addition, to the elastic properties and phonon spectra. The book addresses all those who want to learn about methods for electronic structure calculations and the ASW method, in particular.

Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications (Engineering Materials and Processes)

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Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications (Engineering Materials and Processes)
Levente Vitos
Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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ASIN: 1846289505

Book Description

Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern density functional methods means that today, computational quantum mechanics can help engineers to identify and develop novel materials.

Computational Quantum Mechanics for Materials Engineers describes new approaches to the modelling of disordered alloys that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques to establish a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates. The practical success of these approaches to applications in all of these areas are covered in detail. The new EMTO-CPA method is detailed, including its application in alloys to model structural stability and elastic properties of random alloys of arbitrary composition and the effect of alloying elements on elastic stiffnesses stacking fault energies and structural parameters. The EMTO-CPA method makes new approaches to computational alloy design feasible. Computational Quantum Mechanics for Materials Engineers shows how the technique will soon allow materials engineers to become "quantum blacksmiths".

Computational Quantum Mechanics for Materials Engineers will interest researchers and postgraduate students in materials science and engineering, solid-state physics and applied quantum mechanics.

Density-Functional Methods in Chemistry and Materials Science (Wiley Research Series in Theoretical Chemistry)

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Density-Functional Methods in Chemistry and Materials Science (Wiley Research Series in Theoretical Chemistry)

Manufacturer: Wiley
ProductGroup: Book
Binding: Paperback

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Book Description

Used in materials science, physical chemistry and physics, density functional methods provide a unifying description of electronic properties applicable to all materials while also giving specific information on the system under study. A large number of very different materials and systems (atoms, molecules, macromolecules, clusters, bulk solids, surfaces and interfaces) are presently being studied with methods based on density functional formalism. Density Functional Methods in Chemistry and Materials Science reports the results of this research. This book will be of particular interest to those research materials science from a theoretical standpoint. This work will demonstrate how the formalism has become a methodology leading to useful information on structural and electronic properties of a broad range of materials.

Time-Dependent Density Functional Theory (Lecture Notes in Physics)

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Time-Dependent Density Functional Theory (Lecture Notes in Physics)

Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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ASIN: 3540354220

Book Description

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 Schrödinger equation is too demanding. This is the first comprehensive, textbook-style introduction to the relevant basics and techniques.

Book Description

Electroporation Protocols for Microorganisms is the first complete guide to the electroporation of nearly all microorganisms of importance used in biological and biomedical research. It includes reproducible protocols for diverse bacterial, fungal, and protist species-many of which are important in human disease-as well as literature references to electroporation protocols for related species. The contributors also discuss electroporation theory and instrumentation, making it possible to develop new protocols or modify existing ones, and they provide extensive details about culturing and storing many species in a manner designed to optimize electroporation efficiency.

Electroporation Protocols for Microorganisms is an indispensable resource for molecular geneticists working directly with microorganisms and for those who employ microorganisms to prepare materials for later introduction into higher organisms, such as plants and animals. Two companion volumes will follow: Plant Cell Electroporation and Electrofusion Protocols and Animal Cell Electroporation and Electrofusion Protocols.

Customer Reviews:

Good reference!.......2006-02-23

This is an excellent compendium of basic science as well as practical protocols for electroporation of various organisms, anything from bacteria to mammalian cells. Notably, electrofusion is also discussed.

The only reason this book received 4 stars rather than 5 is because the selection of organisms is somewhat limited - not many Gram-positive organisms are discussed, and yeast transformation is limited to a handful of species.

Neverhteless, I highly recommend this book to anyone who is facing the challenges of electroporating a difficult organism, or to anyone who has to perform electroporation on a routine basis and would like to learn more about the process.

Artem G. Evdokimov

Book Description

Volume 1

This book provides an accessible, practical and comprehensive introduction to the three gauge theories of the 'standard model' of particle physics: quantum electrodynamics (QED), quantum chromodynamics (QCD) and the electroweak theory. For each of them, the authors provide a thorough discussion of the main conceptual points; a detailed exposition of many practical calculations of physical quantities; and a comparison of these quantitative predictions with experimental results.

For this two-volume third edition, much of the book has been re-written to reflect developments over the last decade, both in the curricula of university courses, and in particle physics research. On the one hand, substantial new material has been introduced which is intended for use in undergraduate physics courses. New introductory chapters provide a precise historical account of the properties of quarks and leptons, and a qualitative overview of the quantum field description of their interactions, at a level appropriate to third year courses. The chapter on relativistic quantum mechanics has been enlarged and is supplemented by additional sections on scattering theory and Green functions, in a form appropriate to fourth year courses. On the other hand, since precision experiments now test the theories beyond lowest order in perturbation theory, an understanding of the data requires a more sophisticated knowledge of quantum field theory, including ideas of renormalisation. The treatment of quantum field theory has therefore been considerably extended so as to provide a uniquely accessible and self-contained introduction to quantum field dynamics, as described by Feynman graphs. The level is suitable for advanced fourth year undergraduates and first year graduates.

This is the second volume of the third edition of a successful text, now substantially enlarged and updated to reflect developments over the last decade in the curricula of university courses and in particle physics research. Volume one covered relativistic quantum mechanics, electromagnetism as a gauge theory, and introductory quantum field theory, and ended with the formulation and application of quantum electrodynamics (QED), including renormalization. Building on these foundations, this second volume provides a complete, accessible and self-contained introduction to the remaining two gauge theories of the `standard model' of particle physics: quantum chromodynamics (QCD) and the electroweak theory.

Volume 2

The treatment significantly extends that of the second edition in several important respects. Simple ideas of group theory are now incorporated into the discussion of non-Abelian symmetries.

Two new chapters have been added on QCD, one devoted to the renormalization group and scaling violations in deep inelastic scattering, the other to non-perturbative aspects of QCD using the lattice (path-integral) formulation of quantum field theory; the latter is also used to illuminate various aspects of renormalization theory, via analogies with condensed matter systems. Three chapters treat the fundamental topic of spontaneous symmetry breaking: the (Bogoliubov) superfluid and the (BCS) superconductor are studied in some detail; one chapter is devoted to the implications of global chiral symmetry breaking in QCD; and one to the breaking of local SU(2)xU(1) symmetry in the electroweak theory. Weak interaction phenomenology is extended to include discussion of discrete symmetries, and of the possibility that neutrinos are Majorana (rather than Dirac) particles. Most of these topics are normally found only in more advanced texts, and this is the first book to treat them in a manner accessible to the wide readership which the previous editions have attracted.

Customer Reviews:

Very clear and readable.......2007-03-21

Like the 2nd edition this 2 volume set is very readable. I like it's informal style, and the wealth of background material presented, as well as the hints about when to expect further discussions of a subject in succeding chapters. By far the best Quantum Field Theory book I've come across.

more understandable QFT for beginners.......2005-09-17

The 3rd edition of that book clarified to a degree the fog left in my mind by a two-semester QFT course. The book is better suited for beginners than Peskin & Shroeder, Mandl & Show or Lahiri & Pal simply because it senses better the difficult points for beginners and tries to explain them at lower level. It focuses on the main concepts and doesn't try to `cover broad material in shortest time' or get into extreme computational technicalities totally irrelevant to beginners. The correct historical perspective of many ideas is given and the important historical papers are cited. The theory is frequently compared to the experimental results. Violin string is used as a prototype of a continuous system described by a classical field which is the first field quantized later. The book develops physical intuition showing how a scattering process can be analyzed in full QED (all fields are operators), in semiclassical approximation (all fields are operators except the EM field) or using the lowest level wavefunction approximation (all fields are treated like wave functions just like scattering in nonrelativistic QM) often getting the same result (see chapter 8). Important concepts like Feynman diagrams and Renormalization of a theory are first explored in a simple theoretical playground - a hypothetical `ABC theory' of three massive scalar fields with an interaction ABC term - and later discussed again in the case of QED with all the complications like fermions and Electromagnetic gauge field.

Topics discussed include gauge invariance principle; relativistic field equations describing free particles like Klein-Gordon and Dirac; Feynman interpretation of the negative energy solutions of Dirac eq. (no its not `antiparticle going back in time'); Dirac equation with EM field; Lagrangian and Hamiltonian densities for continuous systems; quantization of free fields like KG (real and complex scalar), Dirac and Electromagnetic field [the quantization is by postulating commutators/anticommutators, no path integrals]; Normal ordering of operators; Interaction picture for interacting fields, Time ordering of operators, Dyson expansion of the S matrix; Wick's theorem; scattering processes in QED at tree level; Ward identity; form factors for scattering from non point particle; parton model, Bjorken scaling; diagrams with loops, regularization and renormalization of ultraviolet divergences in QED.

It took me a month and a half to read the book and solve all problems (10 problems per chapter on average). The problems are exactly the ones every beginner should solve and usually revolve about filling in details from the text or proving statements in the text. Solving them is usually easy with a few exceptions and teaches you the typical computational tricks of the trade. You have to know quantum mechanics (at least have seen scattering theory) and special relativity. You have to at least have heard of Green function and contour integration in the complex plane. The book provides nice appendices about all these.

Not everything is crystal clear in that book, sometimes it took me a few days for an idea to sink in or I understood some paragraphs only after I read the whole book. Other ideas I did not understand at all. Sometimes it's hard to tell what they are trying to say although they say it several times from different angles ... The authors should work on expressing an idea in a direct succinct way once and for all instead of repeating several fuzzy versions of it. Overall that book made me understand MUCH more than a regular QFT course and I highly recommend it as a prep for such a course.

If you are having trouble with QFT - BUY THIS BOOK!.......2003-04-13

This book (2nd edition) has 15 chapters . I have just finished chapter 4 entitled QFT and I am compeled to write this review! After a year of studying of QFT informally I can report that this is the way to introduce yourself to the topic. I've been through Mandl & Shaw, Peskin & Schoeder, Ryder, Weinberg and a few others and this is heads and tails the BEST intro available. In 42 pages, Aitchison & Hey make the transistion from classical to QM and from QM to QFT as gracefully as I can conceive. For example, the transition from the discrete Lagrangian to the field Lagrangian is very explicit. One benfit of this is that the dependence of L on partial of phi wrt x is clearly motivated leading to the manifestly relativistically invariant form of L. They explicitly develop physical intuition at every step of the way - for example, this is the only book that I have found that explicitly asks the question where is QM's wavefunction in the QFT formalism? Answer - The vacuum to one-particle matrix elements of the field operators. The transistion from free fields to interacting fields is far clearer than any other treatment I've seen. I also appreciated that the problems were used to basically fill in details left out of the text. I was able to 'practice' the various kinds of manipulations that are required.

Amazingly clear introduction to the subject.......1998-08-03

This book is the best book I've seen on the subject. The qualitative description of qunatum field theory in particular are amazingly lucid for the subject. The only possible flaw in the book is that the problems at the end of each chapter are both few in number and for the most part do not challenge the student at all; for the most part they are just rote calculations.

High Energy Physics: 2 volume set (AIP Conference Proceedings / Particles and Fields Series)

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High Energy Physics: 2 volume set (AIP Conference Proceedings / Particles and Fields Series)

Manufacturer: American Institute of Physics
ProductGroup: Book
Binding: Hardcover

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An Introduction to Gauge Theories and Modern Particle Physics 2 volume set (hardback) (Cambridge Monographs on Particle Physics, Nuclear Physics and Cosmology)

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A clear and well thought out treatment

An Introduction to Gauge Theories and Modern Particle Physics 2 volume set (hardback) (Cambridge Monographs on Particle Physics, Nuclear Physics and Cosmology)
Elliot Leader , and Enrico Predazzi
Manufacturer: Cambridge University Press
ProductGroup: Book
Binding: Hardcover

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ASIN: 0521577802

Book Description

This work presents, in two volumes, a comprehensive and unified treatment of modern theoretical and experimental particle physics at a level accessible to beginning research students. The emphasis throughout is on presenting underlying physical principles in a simple and intuitive way, and the more sophisticated methods demanded by present day research interests are introduced in a very gradual and gentle fashion.

Customer Reviews:

A clear and well thought out treatment.......1998-09-16

Leader and Predazzi have written an exsellent text for graduate students. They cover the wide range of topics in great clarity. Especially in the chapter about renormalization they succeed in presenting the core in detail without technical obfuscation.

Atomic Collisions: Heavy Particle Projectiles and Atomic Collisions Electron and Photon Projectiles: 2 Volume Set

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Atomic Collisions: Heavy Particle Projectiles and Atomic Collisions Electron and Photon Projectiles: 2 Volume Set
Earl W. McDaniel , Brian S. Mitchell , and M. Eugene Rudd
Manufacturer: Wiley-Interscience
ProductGroup: Book
Binding: Paperback

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Book Description

A landmark collection that brings together Truman Capote’s life’s work in the form he called his “great love,” The Complete Stories confirms Capote’s status as a master of the the short story. This first-ever compendium features a never-before-published 1950 story, “The Bargain,” as well as an introduction by Reynolds Price. Ranging from the gothic South to the chic East Coast, from rural children to aging urban sophisticates, all the unforgettable places and people of Capote’s oeuvre are here, in stories as elegant as they are heartfelt, as haunting as they are compassionate. Reading them reminds us of the miraculous gifts of a beloved American original.

Customer Reviews:

extraordinary small jewels.......2007-07-20

Truman Capote was a brilliant, eccentric novelist and author of a shocking at the time of its publication, documentary fiction book "In Cold Blood". And although he is famous for these works, his short stories are equally captivating and original. They are small masterpieces, weird and magnetizing.

The protagonists are usually strange children (in his other works, Capote did not pay much attention to children), fascinating and different than adults, with their own world, dreams and agendas, or alienated, nerdish, unhappy adults, losers, who also have much of a child in them. Some of the protagonists are said to be modeled on the real people the author met during the course of his life, but some can be only attributed to his imagination...

The world in the stories is only semi-realistic, like a dream, everything is wrapped in a fog of uncertainty. My favorite stories are " Children On Their Birthdays" (the longest of the stories, I think, and very well structured) where the life of a certain Miss Bobbitt, a girl of extraordinary discipline and set life goals, is abruptly ended by the afternoon bus; "Miriam" (which won The O'Henry Prize), where an elderly lady enters into a nightmare, after meeting at the cinema an angelic-looking little girl-demon, not to be able to get rid of her again (actually cost me some sleepless nights...); "Master Misery" about a mysterious New York City man, who buys people's dreams and a girl who gets addicted to dream-selling; and "A Tree of Night", about a dreary encounter on the train. The stories are spooky, but if analyzed, the events recalled may not have anything strange in them to the outside observer; yet the interpretation and way in which they are told suggest otherwise.

These short stories show the other side of Capote's fiction and are a great round-up for anyone who wants to know his works thoroughly.

Not His Best, But. . . .......2006-11-16

These stories are not the best examples of Truman Capote's writing, but they are a good resource for tracking his development as a writer, leading up to the mastery of his "In Cold Blood" which, in my opinion, is one of the best books published in the latter part of the 20th century.

It's Great to Remember.......2006-07-27

I forgot how wonderful Capote writes. His short stories make me laugh, cry, and think.

It was the best weekend spent reading that I have had in years.

Capote the Limited.......2006-07-26

Capote is bad when he writes about poor people. He's alright when he writes about rich people. He's extraordinary when he writes about himself. His "complete short stories" attempt all three. However good his style is, sentence for sentence, avoid the stories that suck. Because they suck. Read Capote when he's himself, and avoid him when he's masquerading.

so easy to read.......2005-08-15

mr. capote are simply beautiful. What I really like is that they are actually short stories, most be about 10 pages long. He takes you into the characters world and shares their life with you. One couldn't ask for better writings on the people of New York City. A Must read for all!!!

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The Complete Stories (Penguin Classics)
Truman Capote
Manufacturer: Penguin Classics
ProductGroup: Book
Binding: Paperback

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Complete Stories-Pmc
Capote Truman
Manufacturer: Penguin Books Ltd
ProductGroup: Book
Binding: Paperback
ASIN: B000OJ8JYG

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