Péter R. Surján
A Festschrift from Theoretical Chemistry Accounts
Published on 12. May 2016
Book
Hardback
VI, 266 pages
978-3-662-49824-8 (ISBN)
Description
In this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.
More details
Series
Edition
1st ed. 2016
Language
English
Place of publication
Berlin
Germany
Publishing group
Springer Berlin
Target group
Professional and scholarly
Illustrations
79 farbige Abbildungen, 23 s/w Abbildungen
VI, 266 p. 102 illus., 79 illus. in color.
Dimensions
Height: 285 mm
Width: 215 mm
Thickness: 21 mm
Weight
924 gr
ISBN-13
978-3-662-49824-8 (9783662498248)
DOI
10.1007/978-3-662-49825-5
Schweitzer Classification
Other editions
Additional editions
Ágnes Szabados | Mihály Kállay | Péter G. Szalay
Péter R. Surján
A Festschrift from Theoretical Chemistry Accounts
Book
05/2018
Springer
€106.99
Shipment within 7-9 days
Ágnes Szabados | Mihály Kállay | Péter G. Szalay
Péter R. Surján
A Festschrift from Theoretical Chemistry Accounts
E-Book
04/2016
1st Edition
Springer
€96.29
Available for download
Persons
Agnes Szabados (Eotvos
University, Budapest, Hungary)
Mihaly Kallay (Budapest University of Technology and Economics, Hungary)
Peter Szalay (Eotvos University, Budapest, Hungary)
Mihaly Kallay (Budapest University of Technology and Economics, Hungary)
Peter Szalay (Eotvos University, Budapest, Hungary)
Content
From the content: Preface.- Local random phase approximation with projected oscillator orbitals.- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states.- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.