Del 0 - Highlights in Theoretical Chemistry

Péter R. Surján

A Festschrift from Theoretical Chemistry Accounts

Inbunden, Engelska, 2016

AvÁgnes Szabados,Mihály Kállay,Péter G. Szalay

1 389 kr

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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.

Produktinformation

Utgivningsdatum2016-05-12
Mått210 x 279 x 21 mm
Vikt924 g
FormatInbunden
SpråkEngelska
SerieHighlights in Theoretical Chemistry
Antal sidor266
Upplaga16001
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783662498248

Tillhör följande kategorier

Fysik inom Naturvetenskap och teknik
Fysikalisk kemi inom Naturvetenskap och teknik

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.