Challenges and Advances in Computational Chemistry and Physics

Linear-Scaling Techniques in Computational Chemistry and Physics

Methods and Applications

Editors: Zaleśny, R., Papadopoulos, M.G., Mezey, P.G., Leszczynski, J. (Eds.)

  • The only handbook to present a comprehensive overview of linear-scaling methods and their applications
  • Incorporates the very latest developments in the field
  • Applications aimed at those working in computational chemistry and physics
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eBook $269.00
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  • ISBN 978-90-481-2853-2
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  • Immediate eBook download after purchase
Hardcover $339.00
price for USA
  • ISBN 978-90-481-2852-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $339.00
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  • ISBN 978-94-007-3556-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

Computational chemistry methods have become increasingly important in recent years, as manifested by their rapidly extending applications in a large number of diverse fields. The ever-increasing size of the systems one wants to study leads to the development and application of methods, which provide satisfactory answers at a manageable computational cost.

An important variety of computational techniques for large systems are represented by the linear-scaling techniques, that is, by methods where the computational cost scales linearly with the size of the system. This monograph is a collection of chapters, which report the state-of-the-art developments and applications of many important classes of linear-scaling methods.

Linear-Scaling Techniques in Computational Chemistry and Physics: Methods and Applications serves as a handbook for theoreticians who are involved in the development of new and efficient computational methods as well as for scientists who use the tools of computational chemistry and physics in their research

About the authors

R. Zalesny is a member of the Molecular Modelling and Quantum Chemistry Group at the Wroclaw University of Technology, Poland.

M. Papadopoulos is a Research Director at the Institute of Organic and Pharmaceutical Chemistry, Greece.

P. Mezey is the Director of Scientific Modeling and Simulation Laboratory, Memorial University of Newfoundland, Canada.

J. Leszczynski is the Director of Nanotoxicity Center at JSU, USA.

Table of contents (17 chapters)

  • Plane-Wave Based Low-Scaling Electronic Structure Methods for Molecules

    Pulay, Peter

    Pages 1-16

  • Mathematical Formulation of the Fragment Molecular Orbital Method

    Nagata, Takeshi (et al.)

    Pages 17-64

  • Linear Scaling Second Order Møller Plesset Perturbation Theory

    Saebø, Svein

    Pages 65-82

  • Perturbative Approximations to Avoid Matrix Diagonalization

    Surján, Péter R. (et al.)

    Pages 83-95

  • Divide-and-Conquer Approaches to Quantum Chemistry: Theory and Implementation

    Kobayashi, Masato (et al.)

    Pages 97-127

Buy this book

eBook $269.00
price for USA (gross)
  • ISBN 978-90-481-2853-2
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $339.00
price for USA
  • ISBN 978-90-481-2852-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $339.00
price for USA
  • ISBN 978-94-007-3556-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Linear-Scaling Techniques in Computational Chemistry and Physics
Book Subtitle
Methods and Applications
Editors
  • Robert Zaleśny
  • Manthos G. Papadopoulos
  • Paul G. Mezey
  • Jerzy Leszczynski
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
13
Copyright
2011
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-90-481-2853-2
DOI
10.1007/978-90-481-2853-2
Hardcover ISBN
978-90-481-2852-5
Softcover ISBN
978-94-007-3556-9
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XX, 516
Topics