Bookcover of Quantum Chemistry and Solid State Physics Software
Booktitle:

Quantum Chemistry and Solid State Physics Software

Alphascript Publishing (2010-09-30 )

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ISBN-13:

978-613-2-86555-7

ISBN-10:
6132865551
EAN:
9786132865557
Book language:
English
Blurb/Shorttext:
Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have developed over many years. The following table illustrates the capabilities of the most versatile software packages that show an entry in two or more columns of the table.
Publishing house:
Alphascript Publishing
Website:
https://www.alphascript-publishing.com/
Edited by:
Frederic P. Miller, Agnes F. Vandome, John McBrewster
Number of pages:
84
Published on:
2010-09-30
Stock:
Available
Category:
Informatics, IT
Price:
34.00 €
Keywords:
Density, Functional, theory, Molecular, Mechanics

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