Density Functional Methods in Physics (Nato a S I Series Series B, Physics)

Book Description

Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.

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

Book Description

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.

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Many Particle Theory
E. K. U. Gross , E. Runge , and O. Heinonen
Manufacturer: Adam Hilger
ProductGroup: Book
Binding: Hardcover

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Recent Advances in Density Functional Methods (Recent Advances in Computational Chemistry Vol. 1, Part II)

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Recent Advances in Density Functional Methods (Recent Advances in Computational Chemistry Vol. 1, Part II)

Manufacturer: World Scientific Publishing Company
ProductGroup: Book
Binding: Hardcover

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Book Description

Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the computational methodology of DFT.

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.

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Awesome Book great for praying scripture and spiritual warfare

Prayers right from God's Word

An Excellent prayers for the teens of Spirit filled mothers

Every Day I Pray for My Teenager: A Handbook of Spiritual Pragers for the Mothers of Teenagers
Eastman Curtis
Manufacturer: Charisma House
ProductGroup: Book
Binding: Paperback

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Raising Heaven Bound Kids In A Hell Bent World: Sound Advice And Spiritual Guidance To Train Up Your Teenagers And Prepare Them For Daily Battle

Every Child Needs a Praying Mom

When Mothers Pray: Bringing God's Power and Blessing to Your Children's Lives

Praying the Scriptures for Your Children

The Power of a Praying® Parent Deluxe Edition

ASIN: 0884194353

Customer Reviews:

Awesome Book great for praying scripture and spiritual warfare.......2007-01-12

If you want ideas and directions to pray for your teen or really anyone on your prayer list this is a great book. My girlfriend bought it and after I looked through it I couldn't wait to get it. If you by it and use it you will see break through. Scriptures are listed to backup the prayers, this would enable you to do more study on your own and maybe even write your own prayers.

Prayers right from God's Word.......2000-03-17

This book is wonderful! It is full of powerful prayers for real-life situations teenagers face such as drug abuse, abortion, future career decisions, walking more closely with God, doing well in school, peer pressure, etc, etc. The prayers are powerful because they are directly from Scripture. This book is not for the teens themselves to use but for those who love them and are praying for them. It helps you find God's promises to claim for your teens. It gives you exact scripture references for almost every sentence of the prayers so that you know you are praying along with God's will. It puts the power of God's Word into your prayers.

An Excellent prayers for the teens of Spirit filled mothers.......1998-07-14

If you are a Spirit filled Christian concerned about a teen, this book is a God send. It covers the themes we are concerned about such as: their spiritual life, sexuality, character, relationships, education, careers, and maturity. There are 136 prayers each back by a list a scriptures relating to the prayer. As a fund raising project I have sold over 42 of these books. A number of people have brought multiple copies,often as gifts to friends and family. I highly recommend this book

Life on Purpose Devotional for Mothers: Practical Faith and Profound Insight for Every Day (Life on Purpose)

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Life on Purpose Devotional for Mothers: Practical Faith and Profound Insight for Every Day (Life on Purpose)
Harrison House
Manufacturer: Harrison House
ProductGroup: Book
Binding: Hardcover

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ASIN: 1577946839

Book Description

All new devotionals for the Life on Purpose Series! Now mothers and teens can enjoy a specialized version that challenges believers to live each day of their life with purpose. Not only does it encompass a passionate and intimate relationship with God, but also to view their every day encounters through the eyes of purpose. The Life On Purpose Devotional Series is written or those who hunger for "more" and will impassion readers to press beyond obstacles to experience God's purpose for their life in every moment.

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A Brilliantly Creepy Book
Evil Among US
Very Disappointing!

Every Day Is Mother's Day
Hilary Mantel
Manufacturer: Owl Books
ProductGroup: Book
Binding: Paperback

Contemporary | General | Literature & Fiction | Subjects | Books

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ASIN: 0805062726

Book Description

Stephen King meets Muriel Spark in Hilary Mantel's first novel.

Evelyn Axona-medium by trade-and her half-wit daughter Muriel have become a social problem. Barricaded in their once-respectable house, they live amid festering rubbish, unhealthy smells-and secrets. They completely baffle Isabel Field, the social worker assigned to help them. But Isabel is only the most recent in a long line of people that find the Axons impossible. Meanwhile, Isabel has her own problems: a married lover, Colin. He is a history teacher to unresponsive children and father to a passel of his own horrible kids. With all this to worry about, how can Isabel even begin to understand what is going on in the Axon household? When Evelyn finally moves to def Muriel, and Muriel, in turn, acts to protect herself, the results are by turns hilarious and terrifying.

Customer Reviews:

A Brilliantly Creepy Book.......2001-11-14

Don't be misled by the title: Every Day Is Mother's Day isn't an Erma Bombek type look at motherhood or a feminist polemic--it's the best "ghost story" I've ever read. It's sad, funny, macabre, and disturbing. I've read only one other book (Fludd) by this author so far, but she's already near the top of my list of favorite writers--maybe she'll be on yours, too.

Evil Among US.......2000-08-11

Hilary Mantel is one of a kind. She is inconcerned with surfaces and deals with the subconscious activity of the forces of Good and Evil, both of our own devising and of other realms of authority entirely. EVERY DAY IS MOTHER'S DAY is a story of incremental evil and madness loosed on a selectively perceiving world, the activity of the truly wicked being obscured by the preconceptions and the predilections of those who, sidelong and reluctant, observe it. One little horror engenders another, each larger than the last, until chaos is unleashed and, still, unappreciated for what it is, is embraced by those who are certain to become its next victims. This is a novel of real terror, and part of the horror is that it will make you laugh.

Very Disappointing!.......2000-04-04

This is not the worst book I've ever read, but it is very close! It had potential to be a good read, but lacked in many key areas. The characters were fairly interesting and decently developed individually, but the outcome of all their interaction was not develped nearly enough. The entanglment of the characters had good plot potential, but ended up being VERY anticlimactic. I felt like the book was unfinished and probably needed at least another hundred pages or so to round out the characters and their situations. It even felt as if it was published exactly as the first draft was written, without any content editing, rewriting or further plot development. Every Day is Mother's Day is a book that had promise, but fell quite short of it's potential.

Jesus the Words to Be Spoken Prayers and Meditations for Every Day of the Year

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Great Quotes, but ...
This is what it IS really all about...
A gem of a book that will put you at Motherýs feet .

Jesus the Words to Be Spoken Prayers and Meditations for Every Day of the Year
Mother Teresa
Manufacturer: Servant Pubns
ProductGroup: Book
Binding: Paperback

General | Religion & Spirituality | Subjects | Books

ASIN: 0892833041

Customer Reviews:

Great Quotes, but ..........2003-12-30

This book has been one of my daily prayer books for close to ten years. The quotes are beautiful, powerful and short -- just right for the purpose of meditating on one per day.

However, the thoughts are not in logical sequence. For example, quotes on humility and confession are spread over a few chapters and the rationale/need for humility is not put upfront first, followed by the attributes of humility and how one can practice it.

This is what it IS really all about..........2001-07-25

Mother Teresa returns to us and she lives in the words she wrote...but even more in the Words she lived....that is what this book is all about and what her life was all about... You do not just speak of God's love in Jesus, about loving the neighbor, you live it with a fullness of life that brings deep and abiding satisfaction. A kind of satisfaction that cannot be bought...but in this book this can be found. Here is where the heart is found... in giving it away. Thanks again to Mother Teresa for continuing to remind us of what brings the Greatest Joy of Heart or life.

A gem of a book that will put you at Motherýs feet ........2000-05-12

This short 149-page book excels at capturing the thoughts of this living saint on such themes as generosity, the love of God, care for others, hunger for God and the privilege of living for Christ.

Captured from her teachings and lecturers to her workers and followers, this wonder gem of a book will put you at Mother's feet.

Customer Reviews:

A book to live with.......2000-11-11

About eight months ago, I found this book and I have read it each day since then. I have found in this book, in the brief selections chosen for each day of the year, the heart of the gospel message - love, obedience, surrender. What Mother Teresa has written was for the Sisters of Charity who worked with her, but it is a message for everyone. I have read other books with selections from Mother Teresa, but this book, with its daily meditation format and its focus, has been the one that has most spoken to me. I think that I will be reading it for the rest of my life.

Caution: Spiritual Riches - Read slowly to digest well........1998-04-29

To read this meditation book at one sitting would be a grave injustice to the author, and probably give anyone who wasn't already a saint some kind of spiritual indigestion. Just a few lines, to read in the morning and consider the rest of the day, is the way to proceed here. Unlike the children's Christmas calendars, which run out of days, and surprises hidden behind paper windows, this book will give you a new treasure every day of the year. Don't wait until January first to start to read it. Start on any day, and don't peek at the next day. Then every day can be full of the delight and anticipation of Advent, all year long. Jesus, the Word to Be Spoken, is compiled by a Brother of the Word, which is the contemplative branch of the Missionaries of Charity for men, founded in 1977. The bonus is a copy of their Rule (Constitution), at the back of the book. These meditations follow the liturgical calendar, so the days of Lent, Easter, Advent and Christmas have appropriate thoughts and prayers. One more caution: Mother Teresa had several ambitions, and one of them was to help people become saints. So you've been warned. Don't be too surprised if you read this and start doing things you never expected to be doing.

Every Single Day: Devotional Moments for the Solo Mom (Motherhood Club)

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Every Single Day: Devotional Moments for the Solo Mom (Motherhood Club)
Donna Huisjen
Manufacturer: Howard Books
ProductGroup: Book
Binding: Hardcover

Motherhood | Family Relationships | Parenting & Families | Subjects | Books

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Hugs for Single Moms: Stories, Saying, And Scriptures to Encourage And Inspire (Hugs Series)

ASIN: 1582294852

Daily Wisdom for Mothers: Encouragement For Every Day (Daily Wisdom)

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great devotional for moms
Wonderful Devotional that is easy to keep up with!
LIKE HAVING A DAILY CHAT WITH YOUR SISTER
Daily Wisdom for Mothers
This ia MUST have for every mom!

Daily Wisdom for Mothers: Encouragement For Every Day (Daily Wisdom)
Michelle Medlock Adams
Manufacturer: Barbour Publishing
ProductGroup: Book
Binding: Hardcover

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ASIN: 1593103700

Product Description

Where's wisdom when moms really need it? Right at their fingertips, thanks to ""Daily Wisdom for Mothers!"" Following Barbour's popular ""Daily Wisdom for Women"" and ""Daily Wisdom for the Workplace"" (with combined sales of more than 460,000), this new book is by a mom-award-winning writer Michelle Medlock Adams-for moms. Especially for women with children at home, ""Daily Wisdom for Mothers"" offers 365 brief, relevant, and biblical reflections with monthly themes such as worry, unconditional love, discipline, and praying. Each will show mothers how Scripture applies to their everyday lives-and equip them to be the best moms they can be.

Customer Reviews:

great devotional for moms.......2007-09-22

I have this book in both Spanish and English and find it to be a great devotional for a busy mom. There is a bible reading and reflection everyday with a focus on mothering. Each month focuses on a different topic. Highly recommended!

Wonderful Devotional that is easy to keep up with!.......2007-02-28

As a busy mom with little free time, this devotional provides the perfect way to squeeze in some quiet time every day! The scriptures are applicable to every day life and there is a space to reflect your own thoughts on each page. It only takes a few minutes and if you miss a day it's so easy to catch up. Great gift for a new mom!

LIKE HAVING A DAILY CHAT WITH YOUR SISTER.......2005-06-13

Do you know a mom who could use a little pick-me-up? How about a whole year of encouragement? Then give her DAILY WISDOM FOR MOTHERS.

I love this book! Michelle is such an inspiration for all of us women who are busy raising our young families. She lets you peek into her busy, sometimes crazy life, giving you the support you need by pointing to her source of strength, God's Word.

The book contains 365 short devotions and is meant to be read every day...but I found I often read several in one sitting because they're just so FUN to read! Each month focuses on a specific theme, such as casting your cares, loving unconditionally, having a thankful heart, dreaming big, taming the tongue, and giving your kids to God.

Michelle writes, "With God, all things are possible -- even raising good kids in a mixed-up world. God doesn't expect mothers to have all the answers, but He does expect us to go to Him...He not only has the answers, He IS the answer!"

After reading this book for a few weeks, you'll feel a spirit of refreshment in your life, and your positive attitude will overflow joy in the lives of those around you. If you buy one to give as a gift, don't miss out by not buying one for yourself!

--Reviewed by Heather Lynn Ivester, Mom 2 Mom Connection

Daily Wisdom for Mothers.......2005-02-15

"Daily Wisdom For Mothers" is a great read for daily encouragement and bits of motherly wisdom. Filled with inspiration and wit, it will move you to tears of laughter or warm-hearted nostalgia.
Adams' personality and charm helps bring out the best in mothering!

This ia MUST have for every mom!.......2005-02-10

Once I read this devotional, I bought one for every one of my friends and family that are moms....young and old. I gave these gifts to each of them on mothers day. It was a huge blessing in my life and I just had to share it. The topics discuss the hopes, dreams, trials and challenges that every mom has faced or will face and provides clear scripture to walk us through these issues and give you HOPE - not to mention a laugh or two as you read and realize that someone else's home is NOT like Ward and June!!!

Daily Wisdom for Mothers Encouragement for Every Day

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Daily Wisdom for Mothers Encouragement for Every Day
Michelle Medlock Adams
Manufacturer: Evangelical Christian Publishers
ProductGroup: Book
Binding: Hardcover
ASIN: 1593108990

Product Description

Brief, relevant, biblical, often humorous devotions by a mom, for moms.

365 Mother Teresa Prayers and Meditations for Every Day of the Year

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365 Mother Teresa Prayers and Meditations for Every Day of the Year

Manufacturer: Fount
ProductGroup: Book
Binding: Hardcover
ASIN: B000PDQDI0

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