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Topics in the Theory of Chemical and Physical Systems: Proceedings of the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005

Topics in the Theory of Chemical and Physical Systems: Proceedings of the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005

Wydawnictwo Springer Netherlands
Data wydania
Liczba stron 297
Forma publikacji książka w miękkiej oprawie
Język angielski
ISBN 9789401781237
Kategorie Chemia teoretyczna i kwantowa
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Opis książki

This volume contains a selection of papers presented at the 10th European Workshop on Quantum Systems in Chemistry and Physics, held in Tunisia, from September 1st to 7th, 2005. The workshop's aim was to bring together chemists and physicists with a common interest in the quantum-mechanical many-body problem. The volume offers unique insights into the fields of quantum chemical methods, molecular structure and spectroscopy, complexes and clusters.

Topics in the Theory of Chemical and Physical Systems: Proceedings of the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005

Spis treści

Preface Obituary: Raymond Daudel (1920-2006) Part I. Advanced Methodologies Literate many-body perturbation theory programming: third-order 'ring' diagrams, S. Wilson
Multicomponent many-body perturbation theory for the simultaneous description of electronic and nuclear motion. Towards a practical implementation using literate programming methods, S. Wilson
Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water, P. Piecuch, M. Wloch and A.J.C. Varandas
Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems, M. Ragni, A.C.P. Bitencourt and V. Aquilanti
On the time-dependent solutions of the Schrödinger equation, A. Palma and I. Pedraza
Part II. Interactions and Clusters An improved 6-D potential energy surface for ammonia, S. Rashev, David C. Moule and S. Djambova
A review on Gold-Ammonia bonding patterns, E. S. Kryachko and F. Remacle
Potential energy surfaces and dynamics of HenBr2 van der Waals complexes, G. Delgado-Barrio, D. López-Durán, A. Valdés, R. Prosmiti, M. P. de Lara-Castells, T. González-Lezana and P. Villarreal
Theoretical treatment of charge transfer processes: From ion/atom to ion/biomolecule interactions, M. C. Bacchus-Montabonel, M. Labuda, Y. S. Tergiman and J. E. Sienkiewicz
Part III. Excited States - Condensed Matter Shell effects and homothetic expressions for electron relaxation and other corrections to 2p-core ionization energies and spin-orbit splitting for atoms from Cl to Ba, J. Maruani and C. Bonnelle
On the role of electronic molecular states of high spin multiplicity, S. Ben Yaghlane, A. Ben Houria and M. Hochlaf Ab initio characterization of electronically excited metastable states of S2-, B. Edhay, S. Lahmar, Z. Ben Lakhdar and M. Hochlaf Anextensive study of the prototypical highly silicon doped hetero-fullerene C30Si30, M. Matsubara and C. Massobrio
Theoretical study of the magnetism in molecular crystals using a first-principles bottom-up methodology, M. Deumal, M. A. Robb and J. J. Novoa
Index

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