Basis Sets in Computational Chemistry

Name: Basis Sets in Computational Chemistry
Brand: Springer
SKU: 9783030672614
Price: 172.76 EUR
Availability: InStock

Автор: Eva Perlt

Език:

Корици: С твърди корици

Издател: Springer

Наличност: Външен склад в ограничено количество

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172.76 € 337.88 лв

This book addresses the construction and application of the major types of basis sets for computatio...

Информация за книгата

Автор

Eva Perlt

Език

Английски език

Корици

Книга - С твърди корици

Издадена

2021

страници

255

EAN

9783030672614

ISBN

3030672611

Enbook ID

37628449

Издател

Springer

Теглоt

544

Размери

196 x 239 x 18

Пълно описание

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 as a guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods.

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Basis Sets in Computational Chemistry

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Пълно описание

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