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Density Functional Theory Practical by Sholl David (18 results)
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Density Functional Theory: A Practical Introduction
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Density Functional Theory : A Practical Introduction
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Density Functional Theory : A Practical Introduction
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Density Functional Theory: A Practical Introduction
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Density Functional Theory: A Practical Introduction
Language: English
Published by John Wiley & Sons Inc, 2022
ISBN 10: 1119840864 ISBN 13: 9781119840862
Seller: Kennys Bookshop and Art Galleries Ltd., Galway, GY, Ireland
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Density Functional Theory: A Practical Introduction
Language: English
Published by John Wiley & Sons Inc, 2023
ISBN 10: 1119840864 ISBN 13: 9781119840862
Condition: New. 2022. 2nd Edition. Hardback. . . . . . Books ship from the US and Ireland.
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Density Functional Theory : A Practical Introduction
Language: English
Published by John Wiley & Sons Inc Dez 2022, 2022
ISBN 10: 1119840864 ISBN 13: 9781119840862
Buch. Condition: Neu. Neuware - Eine prägnante, gut strukturierte Einführung in die Anwendungen von DFT-BerechnungenIn der neu überarbeiteten zweiten Auflage von Density Functional Theory: A Practical Introduction liefern die Autoren eine prägnante und leicht verständliche Einführung in die wichtigsten Konzepte und praktischen Anwendungen der Dichtefunktionaltheorie (DFT), wobei der Schwerpunkt auf die DFT der ebenen Wellen gelegt wird. Die Autoren, die über jahrzehntelange Erfahrung auf diesem Gebiet verfügen, bieten Studierenden mit unterschiedlichen Vorkenntnissen ein ausgewogenes Maß an Verständlichkeit und Klarheit und haben auf diese Weise ein insgesamt sehr gut zu verstehendes Fachbuch verfasst.\* In dieser neuen Auflage werden die Genauigkeit von DFT-Berechnungen und die Wahl der Funktionale detailliert erörtert\* Das Werk bietet einen Überblick über ein breites Spektrum an verfügbaren DFT-Codes\* Mit zusätzlichen Beispielen zur Nutzung von DFT für Berechnungen von Materialien mit hohem Durchsatz\* Stärkere Hervorhebung der Berechnung von Phasendiagrammen und offener Ensemble-Methoden, die in der Elektrochemie umfassend genutzt werden.\* In dieser erweiterten Auflage werden auch Berechnungen abgedeckt, die über die Standard-DFT hinausgehen, z. B. DFT mit Dispersionskorrektur, DFT+U und zeitabhängige DFT.
