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Quantum Chemistry and Solid State Physics Software: Density Functional Theory, List of Software for Monte Carlo Molecular Modeling, List of Software for Molecular Mechanics Modeling - Softcover

 
9786132865557: Quantum Chemistry and Solid State Physics Software: Density Functional Theory, List of Software for Monte Carlo Molecular Modeling, List of Software for Molecular Mechanics Modeling
Softcover
ISBN 10: 6132865551 ISBN 13: 9786132865557
Verlag: OmniScriptum, 2010

Inhaltsangabe

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.

Die Inhaltsangabe kann sich auf eine andere Ausgabe dieses Titels beziehen.

Reseña del editor

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.

„Über diesen Titel“ kann sich auf eine andere Ausgabe dieses Titels beziehen.

Verlag
OmniScriptum
Erscheinungsdatum
2010
Sprache
Englisch
ISBN 10 
6132865551
ISBN 13 
9786132865557
Einband
Tapa blanda
Anzahl der Seiten
84
Herausgeber
Miller Frederic P., Vandome Agnes F., McBrewster John
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
Nicht verfügbar