Ágnes Szabados,
Mihály Kállay,
Péter G. Szalay
Péter R. Surján
A Festschrift from Theoretical Chemistry Accounts
Gebonden Engels 2016 9783662498248Levertijd ongeveer 9 werkdagen
Gratis verzonden
Samenvatting
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.
Specificaties
ISBN13:9783662498248
Taal:Engels
Bindwijze:gebonden
Uitgever:Springer Berlin Heidelberg
Lezersrecensies
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Inhoudsopgave
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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