Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts
Author:   Ágnes Szabados ,  Mihály Kállay ,  Péter G. Szalay
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Edition:   1st ed. 2016
Volume:   12
ISBN:  

9783662498248


Pages:   266
Publication Date:   12 May 2016
Format:   Hardback
Availability:   Manufactured on demand   Availability explained
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Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts


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Author:   Ágnes Szabados ,  Mihály Kállay ,  Péter G. Szalay
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Imprint:   Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Edition:   1st ed. 2016
Volume:   12
Weight:   8.505kg
ISBN:  

9783662498248


ISBN 10:   3662498243
Pages:   266
Publication Date:   12 May 2016
Audience:   College/higher education ,  Postgraduate, Research & Scholarly
Format:   Hardback
Publisher's Status:   Active
Availability:   Manufactured on demand   Availability explained
We will order this item for you from a manufactured on demand supplier.

Table of 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.

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Author Information

Agnes Szabados (Eotvos University, Budapest, Hungary) Mihaly Kallay (Budapest University of Technology and Economics, Hungary) Peter Szalay (Eotvos University, Budapest, Hungary)

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