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Recent Advances in the Theory of Chemical and Physical Systems

Proceedings of the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004

  • Conference proceedings
  • © 2006

Overview

Editors:
  1. JEAN-PIERRE JULIEN

    1. Laboratoire d&Etudes des Propriétés Electroniques des Solides, CNRS and UJF, Grenoble, France

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  2. JEAN MARUANI

    1. Laboratoire de Chimie Physique, CNRS and UPMC, Paris, France

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  3. DIDIER MAYOU

    1. Laboratoire d&Etudes des Propriétés Electroniques des Solides, CNRS and UJF, Grenoble, France

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  4. STEPHEN WILSON

    1. Rutherford Appleton Laboratory, Oxfordshire, U.K.

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  5. GERARDO DELGADO-BARRIO

    1. Instituto de Matemáticas y Física Fundamental, CSIC, Madrid, Spain

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  • Unique insights into the fields of quantum methodology, heavy-element systems, complexes and clusters
  • Only carefully selected papers from the workshop
  • Presents the most advanced methods, results and insights in molecular physics, condensed matter, heavy elements, complexes and clusters, and complex systems

Part of the book series: Progress in Theoretical Chemistry and Physics (PTCP, volume 15)

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Table of contents (26 papers)

  1. Front Matter

    Pages I-XII
    Download chapter PDF

  2. Quantum Chemical Methods

    1. Front Matter

      Pages I-XII
      Download chapter PDF

    2. THEORY AND COMPUTATION IN THE STUDY OF MOLECULAR STRUCTURE

      • H. M. QUINEY, S. WILSON
      Pages 3-12

    3. COUPLED-CLUSTERANDCONFIGURATION-INTERACTION APPROACHES TO QUASIDEGENERACY

      • JOSEF PALDUS, XIANGZHU LI
      Pages 13-43

    4. NONITERATIVE COUPLED-CLUSTER METHODS FOR EXCITED ELECTRONIC STATES

      • PIOTR PIECUCH, MARTA LOCH, MARICRIS LODRIGUITO, JEFFREY R. GOUR
      Pages 45-106

    5. EXCITED STATE SELF-CONSISTENT FIELD THEORY USING EVEN-TEMPERED PRIMITIVE GAUSSIAN BASIS SETS

      • V.N. GLUSHKOV, S. WILSON
      Pages 107-126

    6. PRACTICABLE FACTORIZED TDLDA FOR ARBITRARY DENSITY- AND CURRENT-DEPENDENT FUNCTIONALS

      • V. O. NESTERENKO, J. KVASIL, P.-G. REINHARD
      Pages 127-150

    7. INEQUALITIES RELATING THE ELEMENTS OF THE SECOND-ORDER REDUCED DENSITY MATRIX

      • G. DEZSŐ, I. BÁLINT, I. GYÉMÁNT
      Pages 151-157

    8. STRUTINSKY’S SHELL-CORRECTION METHOD IN THE EXTENDED KOHN-SHAM SCHEME: APPLICATIONTOTHE IONIZATION POTENTIAL, ELECTRON AFFINITY, ELECTRONEGATIVITY AND CHEMICAL HARDNESS OF ATOMS

      • YA. I. DELCHEV, A. I. KULEFF, J. MARUANI, TZ. MINEVA, F. ZAHARIEV
      Pages 159-176

    9. GENERALIZED DIABATIC STUDY OF ETHYLENE “ISOMERISM“

      • O. TAPIA, V. POLO, J. ANDRES
      Pages 177-196

  3. Relativistic and Heavy-Element Systems

    1. Front Matter

      Pages I-XII
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    2. PROGRESS WITH BERTHA: A RELATIVISTIC ATOMIC AND MOLECULAR STRUCTURE PACKAGE

      • I. P. GRANT, H. M. QUINEY
      Pages 199-215

    3. NON-STANDARD REPRESENTATIONS OF THE DIRAC EQUATION AND THE VARIATIONAL METHOD

      • MONIKA STANKE, JACEK KARWOWSKI
      Pages 217-228

    4. GENERALIZED RECPACCOUNTING FOR BREIT EFFECTS: URANIUM, PLUTONIUM AND SUPERHEAVY ELEMENTS 112, 113, 114

      • N. S. MOSYAGIN, A. N. PETROV, A. V. TITOV, I. I. TUPITSYN
      Pages 229-251

    5. P,T-PARITYVIOLATIONEFFECTS INPOLARHEAVY-ATOM MOLECULES

      • A. V. TITOV, N. S. MOSYAGIN, A. N. PETROV, T. A. ISAEV, D. P. DEMILLE
      Pages 253-283

    6. QED CALCULATION OF HEAVY MULTICHARGED IONS WITH ACCOUNT FOR CORRELATION, RADIATIVE AND NUCLEAR EFFECTS

      • A.-V. GLUSHKOV, S.-V. AMBROSOV, A.-V. LOBODA, E.-P. GURNITSKAYA, O.-Y. KHETSELIUS
      Pages 285-299

    7. QUANTUM CALCULATION OF COOPERATIVE MUON-NUCLEAR PROCESSES: DISCHARGE OF METASTABLE NUCLEI DURING NEGATIVE MUON CAPTURE

      • S.-V. MALINOVSKAYA, A.-V. GLUSHKOV, Y.-V. DUBROVSKAYA, L.-A. VITAVETSKAYA
      Pages 301-307

    8. COMPUTER SIMULATIONS IN HEAVY PARTICLE COLLISIONS

      • FRANCESCA O’ROURKE, RUTH PEDLOW, DERRICK CROTHERS
      Pages 309-333

  4. Complexes and Clusters

    1. Front Matter

      Pages I-XII
      Download chapter PDF

    2. STUDY OF INTERACTION ABILITIES USING AN ENERGY PARTITIONING SCHEME IN SOME WATER CLUSTERS

      • C. KOZMUTZA, E. TFIRST, F. BARTHA, O. KAPUY
      Pages 337-345
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Keywords

About this book

Advances in the Theory of Chemical and Physical Systems is a collection of 26 selected papers from the scientific presentations made at the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004. This volume encompasses a spectrum of developing topics in which scientists place special emphasis on theoretical methods in the study of chemical and physical properties of various systems: Quantum Chemical Methods (including CC and DFT for excited states) Relativistic and Heavy-Element Systems (including radiative and nuclear effects)Complexes and Clusters (including metal complexes and clusters) Complex Systems (including quasicrystals, nanotubes and proteins).

Editors and Affiliations

  • Laboratoire d&Etudes des Propriétés Electroniques des Solides, CNRS and UJF, Grenoble, France

    JEAN-PIERRE JULIEN, DIDIER MAYOU

  • Laboratoire de Chimie Physique, CNRS and UPMC, Paris, France

    JEAN MARUANI

  • Rutherford Appleton Laboratory, Oxfordshire, U.K.

    STEPHEN WILSON

  • Instituto de Matemáticas y Física Fundamental, CSIC, Madrid, Spain

    GERARDO DELGADO-BARRIO

Bibliographic Information

  • Book Title: Recent Advances in the Theory of Chemical and Physical Systems

  • Book Subtitle: Proceedings of the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004

  • Editors: JEAN-PIERRE JULIEN, JEAN MARUANI, DIDIER MAYOU, STEPHEN WILSON, GERARDO DELGADO-BARRIO

  • Series Title: Progress in Theoretical Chemistry and Physics

  • DOI: https://doi.org/10.1007/1-4020-4528-X

  • Publisher: Springer Dordrecht

  • eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)

  • Copyright Information: Springer Science+Business Media B.V. 2006

  • Hardcover ISBN: 978-1-4020-4527-1Published: 03 April 2006

  • Softcover ISBN: 978-94-007-8859-6Published: 28 October 2014

  • eBook ISBN: 978-1-4020-4528-8Published: 05 May 2006

  • Series ISSN: 1567-7354

  • Series E-ISSN: 2215-0129

  • Edition Number: 1

  • Number of Pages: XI, 577

  • Topics: Physical Chemistry, Materials Science, general

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