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Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts de Ágnes Szabados

Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts: Highlights in Theoretical Chemistry, cartea 12

Editat de Ágnes Szabados, Mihály Kállay, Péter G. Szalay
en Limba Engleză Paperback – 27 mai 2018
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.
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Specificații

ISBN-13: 9783662570371
ISBN-10: 3662570378
Ilustrații: VI, 266 p. 102 illus., 79 illus. in color.
Dimensiuni: 210 x 279 mm
Greutate: 0.62 kg
Ediția:Softcover reprint of the original 1st ed. 2016
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Highlights in Theoretical Chemistry

Locul publicării:Berlin, Heidelberg, Germany

Cuprins

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.

Notă biografică

Agnes Szabados (EotvosUniversity, Budapest, Hungary)
Mihaly Kallay (Budapest University of Technologyand Economics, Hungary)
Peter Szalay (Eotvos University, Budapest, Hungary)

Textul de pe ultima copertă

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.

Caracteristici

Presents selected contributions from the journal Theoretical Chemistry Accounts Now available in hardcover Written by experts