Advances in the Theory of Quantum Systems in Chemistry and Physics

  • Philip E. Hoggan
  • Erkki J. Brändas
  • Jean Maruani
  • Piotr Piecuch
  • Gerardo Delgado-Barrio

Part of the Progress in Theoretical Chemistry and Physics book series (PTCP, volume 22)

Table of contents

  1. Front Matter
    Pages i-xxii
  2. Fundamental Theory

    1. Front Matter
      Pages 1-1
  3. Model Atoms

  4. Atoms and Molecules with Exponential-Type Orbitals

    1. Front Matter
      Pages 69-69
    2. Daniel H. Gebremedhin, Charles A. Weatherford
      Pages 71-81
    3. Philip E. Hoggan, Ahmed Bouferguène
      Pages 83-102
    4. María Belén RUIZ
      Pages 103-117
    5. A. Rubio-Ponce, J. Morales, D. Olguín
      Pages 119-127
    6. R. González-Férez, J. S. Dehesa, K. D. Sen
      Pages 129-136
  5. Density-Oriented Methods

    1. Front Matter
      Pages 137-137
    2. Osvaldo Mafra Lopes Jr., Benoît Braïda, Mauro Causà, Andreas Savin
      Pages 173-184
    3. Á. Nagy
      Pages 185-197
    4. Jiří Vackář, Ondřej Čertík, Robert Cimrman, Matyáš Novák, Ondřej Šipr, Jiří Plešek
      Pages 199-217
  6. Dynamics and Quantum Monte-Carlo Methodology

    1. Front Matter
      Pages 267-267
    2. Rocco Martinazzo, Keith H. Hughes, Irene Burghardt
      Pages 269-283
    3. Gábor J. Halász, Attila Papp, Etienne Gindensperger, Horst Köppel, Ágnes Vibók
      Pages 285-297
    4. Roland Mitrić, Jens Petersen, Ute Werner, Vlasta Bonačić-Koutecký
      Pages 299-325
    5. Wai Kong Yuen, Stuart M. Rothstein
      Pages 327-342
    6. Julien Toulouse, Michel Caffarel, Peter Reinhardt, Philip E. Hoggan, C. J. Umrigar
      Pages 343-351
  7. Structure and Reactivity

    1. Front Matter
      Pages 353-353
    2. E. Rozsályi, E. Bene, G. J. Halász, Á. Vibók, M. C. Bacchus-Montabonel
      Pages 355-367
    3. M. C. Bacchus-Montabonel, D. Talbi
      Pages 369-379
    4. S. Tolosa Arroyo, A. Hidalgo Garcia, J. A. Sansón Martín
      Pages 395-403
    5. I. Jendoubi, H. Berriche, H. Ben Ouada, F. X. Gadea
      Pages 405-430
  8. Complex Systems, Solids, Biophysics

    1. Front Matter
      Pages 431-431
    2. Toru Matsui, Hideaki Miyachi, Yasuteru Shigeta
      Pages 433-460
    3. Dmitry Yu. Zubarev, Xiaoqing You, Michael Frenklach, William A. Lester Jr
      Pages 553-569
    4. Demeter Tzeli, Ioannis D. Petsalakis, Giannoula Theodorakopoulos
      Pages 599-610
    5. M. A. Whitehead, Ashok Kakkar, Theo van de Ven, Rami Hourani, Elizabeth Ladd, Ye Tian et al.
      Pages 611-623
  9. Back Matter
    Pages 625-629

About this book


Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010.

This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections:

I.          Fundamental Theory;

II.         Model Atoms;

III.       Atoms and Molecules with Exponential-Type Orbitals;

IV.       Density-Oriented Methods;

V.         Dynamics and Quantum Monte-Carlo Methodology;

VI.       Structure and Reactivity;

VII.      Complex Systems, Solids, Biophysics.

Advances in the Theory of Quantum Systems in Chemistry and Physics is written for research students and professionals in Quantum systems of chemistry and physics. It also constitutes and invaluable guide for those wishing to familiarise themselves with research perspectives in the domain of quantum systems for thematic conversion or simply to gain insight into the methodological developments and applications to physics chemistry and biology that have actually become feasible by the end of 2010.


Quantum systems

Editors and affiliations

  • Philip E. Hoggan
    • 1
  • Erkki J. Brändas
    • 2
  • Jean Maruani
    • 3
  • Piotr Piecuch
    • 4
  • Gerardo Delgado-Barrio
    • 5
  1. 1., LASMEAClermont UniversityAubiere CedexFrance
  2. 2.Dept. Quantum ChemistryUppsala UniversityUppsalaSweden
  3. 3.Labo. Chimie PhysiqueCNRSParisFrance
  4. 4.Dept. ChemistryMichigan State UniversityEast LansingUSA
  5. 5.Inst. Matemáticas y Física, Fundamental (IMAFF)CSIC MadridMadridSpain

Bibliographic information