Advances in the Theory of Quantum Systems in Chemistry and Physics

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 Magdalen

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Progress in Theoretical Chemistry and Physics VOLUME 22 Honorary Editors: Sir Harold W. Kroto (Florida State University, Tallahassee, FL, U.S.A.) Pr Yves Chauvin (Institut Franc¸ais du P´etrole, Tours, France) Editors-in-Chief: J. Maruani (formerly Laboratoire de Chimie Physique, Paris, France) S. Wilson (formerly Rutherford Appleton Laboratory, Oxfordshire, U.K.) Editorial Board: V. Aquilanti (Universit`a di Perugia, Italy) E. Br¨andas (University of Uppsala, Sweden) L. Cederbaum (Physikalisch-Chemisches Institut, Heidelberg, Germany) G. Delgado-Barrio (Instituto de Matem´aticas y F´ısica Fundamental, Madrid, Spain) E.K.U. Gross (Freie Universit¨at, Berlin, Germany) K. Hirao (University of Tokyo, Japan) E. Kryachko (Bogolyubov Institute for Theoretical Physics, Kiev, Ukraine) R. Lefebvre (Universit´e Pierre-et-Marie-Curie, Paris, France) R. Levine (Hebrew University of Jerusalem, Israel) K. Lindenberg (University of California at San Diego, CA, U.S.A.) R. McWeeny (Universit`a di Pisa, Italy) M.A.C. Nascimento (Instituto de Qu´ımica, Rio de Janeiro, Brazil) P. Piecuch (Michigan State University, East Lansing, MI, U.S.A.) M. Quack (ETH Z¨urich, Switzerland) S.D. Schwartz (Yeshiva University, Bronx, NY, U.S.A.) A. Wang (University of British Columbia, Vancouver, BC, Canada) Former Editors and Editorial Board Members: I. Prigogine (†) J. Rychlewski (†) Y.G. Smeyers (†) R. Daudel (†) M. Mateev (†) W.N. Lipscomb (†) ˚ H. Agren (*) D. Avnir (*) J. Cioslowski (*) W.F. van Gunsteren (*) † deceased, * end of term For further volumes: http://www.springer.com/series/6464

H. Hubaˇc (*) M.P. Levy (*) G.L. Malli (*) P.G. Mezey (*) N. Rahman (*) S. Suhai (*) O. Tapia (*) P.R. Taylor (*) R.G. Woolley (*)

Advances in the Theory of Quantum Systems in Chemistry and Physics Edited by PHILIP E. HOGGAN Universit´e Blaise-Pascal, Clermont-Ferrand, France ¨ ERKKI J. BRANDAS Department of Quantum Chemistry, University of Uppsala, Sweden JEAN MARUANI Laboratoire de Chimie Physique, CNRS and UPMC, Paris, France PIOTR PIECUCH Michigan State University, East Lansing, Michigan, USA and GERARDO DELGADO-BARRIO Instituto de F´ısica Fundamental, CSIC, Madrid, Spain

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Editors Philip E. Hoggan Pascal Institute Labex IMOBS3, BP 80026 F-63171 Aubi`ere Cedex France [email protected]

Erkki J. Br¨andas Department of Quantum Chemistry University of Uppsala S-751 20 Uppsala Sweden [email protected]

Jean Maruani Laboratoire de Chimie Physique CNRS & UPMC 11 Rue Pierre et Marie Curie F-75005 Paris France [email protected]

Piotr Piecuch Department of Chemistry Michigan State University East Lansing, Michigan 48824 USA [email protected]

Gerardo Delgado-Barrio Instituto de F´ısica Fundamental CSIC Serrano 123 E-28006 Madrid Spain [email protected]

ISSN 1567-7354 ISBN 978-94-007-2075-6 e-ISBN 978-94-007-2076-3 DOI 10.1007/978-94-007-2076-3 Springer Dordrecht Heidelberg London New York Library of Congress Control Number: 2011942474 © Springer Science+Business Media B.V. 2012 No part of this work may be reproduced, stored in a retri