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Fundamental World of Quantum Chemistry

A Tribute to the Memory of Per-Olov Löwdin

  • Book
  • © 2003

Overview

Editors:
  1. Erkki J. Brändas

    1. Uppsala University Dept. Quantum Chemistry, Uppsala, Sweden

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  2. Eugene S. Kryachko

    1. University of Leuven Department of Chemistry BGC, Leuven, Belgium

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    You can also search for this editor in PubMed   Google Scholar

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About this book

Looking at the literature, one finds that, in atomic and molecular physics, comparatively little interest has so far been devoted to the GHF­ scheme, and the purpose of this paper is to try to focus the interests of some quantum chemists to this rather interesting problem of looking for the "absolute minimum" of the original Hartree-Fock method. (P. -O. Li:iwdin and I. Mayer, Ref. 5, p. 93. ) In view of the complexity of quantum mechanical equations of motion describing atomic, molecular, and solid state phenomena - even when modelling very small systems at the nonrelativistic level within the Born­ Oppenheimer approximation - one is obliged to introduce rather drastic approximations in order to proceed. The standard approach in the in­ vestigation of the molecular electronic structure is then to rely on the so-called ab initio electronic model Hamiltonian H, which is defined on a suitable finite-dimensional subspace WN of the infinite-dimensional N-electron component of the Fock space F, and to look for the solu­ tions of the time-independent Schrodinger equation associated with this model Hamiltonian. The space WN then represents a vector space of N-linear alternating forms, built as the antisymmetrized tensor product of the one-electron space WI, which in turn is spanned by a chosen set of nonorthogonal atomic spin orbitals (ASOs) IXA) == IA)A=I, . . . ,M, defining a given ab initio model.

Reviews

Per-Olov Löwdin was the principal driving force behind the establishement of the International Journal of Quantum Chemistry and Advances in Quantum Chemistry.

The 49 chapters of the two volumes are a fitting tribute to the legacy of one of the most important scientists of the 20th century. Most chapters highlight Löwdin's scientific contributions through his publications and his personal communications.

This two-volume set will provide many hours of stimulating and engaging reading for serious students of quantum chemistry. It provides an anecdotal record of the development of the field, valuable insight into the current status of the discipline, and perhaps most importantly the context of some important problems that await the attention of future generations of researchers.

Russell J. Boyd, Dalhousie University. In: 6836 J. AM. CHEM. SOC. Vol. 126, No. 21, 2004

 

Editors and Affiliations

  • Uppsala University Dept. Quantum Chemistry, Uppsala, Sweden

    Erkki J. Brändas

  • University of Leuven Department of Chemistry BGC, Leuven, Belgium

    Eugene S. Kryachko

Bibliographic Information

  • Book Title: Fundamental World of Quantum Chemistry

  • Book Subtitle: A Tribute to the Memory of Per-Olov Löwdin

  • Editors: Erkki J. Brändas, Eugene S. Kryachko

  • Publisher: Springer Dordrecht

  • eBook Packages: Chemistry and Material Science (R0)

  • Copyright Information: Springer Science+Business Media Dordrecht 2003

  • Hardcover ISBN: 978-1-4020-1286-0Published: 31 July 2003

  • Softcover ISBN: 978-94-010-3977-2Published: 05 November 2012

  • Edition Number: 1

  • Number of Pages: LXIII, 1373

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