Difference between revisions of "Ab Initio"

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1. {{Download|DFT.pdf|Short Introduction on Density Functional Function (DFT)}}
 
1. {{Download|DFT.pdf|Short Introduction on Density Functional Function (DFT)}}
  
2. {{Download|DFT.pdf|Another Short Introduction on DFT}}
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2. {{Download|DFT2.pdf|Another Short Introduction on DFT}}
  
3. {{Download|DFT_book.pdf|A complete book on DFT}}
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3. DFT on wikipedia: http://en.wikipedia.org/wiki/Density_functional_theory
  
  
1. http://pages.unibas.ch/comphys/comphys/TEACH/SS09/course.pdf
 
  
2. '''Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory'''
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Some more literatures on DFT:  
  
Author: Attila Szabo and Attila Szabo
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3. {{Download|DFT_book.pdf|A complete book on DFT}}
  
Publisher: Dover Publications (1996)
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== Gliederungsvorschlag ==
  
3. http://kolho3.tiera.ru/Ch_Chemistry/Koch%20W.,%20Holthausen%20M.%20A%20Chemist%23s%20Guide%20to%20Density%20Functional%20Theory%20(2ed.,%20Wiley,%202001)(306s).pdf
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1. What's DFT?
 
 
'''A Chemist’s Guide to Density Functional Theory'''. Second Edition
 
 
 
Wolfram Koch, Max C. Holthausen
 
 
 
Copyright © 2001 Wiley-VCH Verlag GmbH
 
 
 
ISBNs: 3-527-30372-3 (Softcover); 3-527-60004-3 (Electronic)
 
 
 
== Gliederungsvorschlag ==
 
  
1. Density functional theory
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2. Why DFT?  Advantages and shortcomings

Latest revision as of 15:20, 22 July 2009

<setdata> date=t.b.a. topic=Ab Initio Methods speaker= tutor=Baofu Qiao </setdata>

Datum
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Required background
Quantum Mechanics

Literatur

1. application_pdf.pngShort Introduction on Density Functional Function (DFT) (431 KB)Info circle.png

2. application_pdf.pngAnother Short Introduction on DFT (171 KB)Info circle.png

3. DFT on wikipedia: http://en.wikipedia.org/wiki/Density_functional_theory


Some more literatures on DFT:

3. A complete book on DFT (file does not exist!)

Gliederungsvorschlag

1. What's DFT?

2. Why DFT? Advantages and shortcomings