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Book
Materials modelling using density functional theory : properties and predictions
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ISBN: 9780199662432 9780199662449 Year: 2014 Publisher: Oxford : Oxford University Press,


Book
Materials modelling using density functional theory : properties and predictions
Author:
ISBN: 0191639427 Year: 2014 Publisher: Oxford, [England] ; New York, New York : Oxford University Press,

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Abstract

This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schrodinger equation of quantum mechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in


Book
I simboli dell'iniziazione cristiana
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Year: 1983 Volume: 7 87 Publisher: Roma: Pontificio ateneo S. Anselmo ,

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La celebrazione cristiana del matrimonio : simboli e testi
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Year: 1986 Volume: 11 93 Publisher: Roma : Pontificio ateneo S. Anselmo,

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Giovanni Andrea Serrao e il giansenismo nell'Italia meridionale (secolo XVIII)
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Year: 1938 Volume: 48 Publisher: Palermo : Scuola Tipografica R. Istituto d'assistenza,

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Tavolette cuneiformi sumere, degli archivi di Drehem e di Djoha, dell'ultima dinastia di Ur
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Year: 1936 Volume: 2 Publisher: Milano : Vita e pensiero,

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Le château de Fénis
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Year: 1953 Publisher: Novara : Instituto geografico de Agostini,

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Le château d'Issogne
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Year: 1951 Publisher: Novara : Istituto geografico de Agostini,

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Il capo di S. Luca Evangelista di Padova e l'imperatore Carlo IV, re di Boemia
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Year: 1963 Publisher: Padova : Centro giovanile di S. Giustina,

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Il mezzogiorno e lo stato italiano. Tomo 1
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Year: 1973

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