Basis Sets in Computational Chemistry

Language: English

Published by Springer Mai 2022, 2022

3030672646 / 9783030672645

Series: Book 33 of 33 - Lecture Notes in Chemistry

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This item is printed on demand - Print on Demand Titel. Neuware -This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful asa guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods.Springer Nature Customer Service Center GmbH, Europaplatz 3, 69115 Heidelberg 264 pp. Englisch.…

Seller Inventory # 9783030672645

Title
Basis Sets in Computational Chemistry
Author
Eva Perlt
Publisher
Springer Mai 2022
Publication year
2022
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
3030672646
ISBN 13
9783030672645
Item weight
406 grams
Dimensions
235x155x15 mm
Series
Book 33 of 33: Lecture Notes in Chemistry

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

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AbeBooks seller since January 23, 2017

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