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Title Péter R. Surján : a festschrift from theoretical chemistry accounts / Ágnes Szabados, Mihály Kállay, Péter G. Szalay, volume editors ; with contributions from Khaled Abdel-Maksoud [and more].

Published Berlin : Springer, 2016.


Location Call No. Status
Physical description 1 online resource (vi, 266 pages) : illustrations (some color).
Series Highlights in theoretical chemistry, 2194-8666 ; vol. 12
Highlights in theoretical chemistry ; vol. 12. 2194-8666
Springer English/International eBooks 2016 - Full Set
Contents 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.
Summary 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.
Other author Szabados, Ágnes, editor.
Kállay, Mihály, editor.
Szalay, Peter G. editor.
Surján, Péter R., 1955- honouree.
SpringerLink issuing body.
Subject Chemistry, Physical and theoretical.
Electronic books.
ISBN 9783662498255 electronic bk.
3662498251 electronic bk.
9783662498248 print
Standard Number 10.1007/978-3-662-49825-5