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Editors Prof. Dr. Gaston Berthier Universite de Paris Institut de Biologie Physico-Chimique Fondation Edmond de Rothschild 13, rue Pierre et Marie Curie F-75005 Paris Prof. Dr. Michael J. S. Dewar Department of Chemistry The University of Texas Austin, Texas 78712/USA Prof. Dr. Hanns Fischer Physikalisch-Chemisches Institut der Universitat ZUrich Ramistr.76 CH-8001 ZUrich Prof. Kenichi Fukui Kyoto University Dept. of Hydrocarbon Chemistry Kyoto/Japan Prof. Dr. George G. Hall Department of Mathematics The University of Nottingham University Park Nottingham NG7 2RD/Great Britain Prof. Dr. Hermann Hartmann Akademie der Wissenschaften und der Literatur zu Mainz Geschwister-Scholl-StraBe 2 0-6500 Mainz Prof. Dr. Hans H. Jaffe Department of Chemistry University of Cincinnati Cincinnati, Ohio 45221/USA Prof. Joshua Jortner Institute of Chemistry Tel-Aviv University 61390 Ramat-Aviv Tel-Aviv/Israel Prof. Dr. Werner Kutzelnigg Lehrstuhl fUr Theoretische Chemie der UniversiUit Bochum Postfach 102148 0-4630 Bochum 1 Prof. Dr. Klaus Ruedenberg Department of Chemistry Iowa State University Ames, Iowa 5001O/USA Prof. Dr. Eolo Scrocco Via Garibaldi 88 1-00153 Roma Lecture Notes in Chemistry Edited by G. Berthier M. J. S. Dewar H. Fischer K. Fukui G. G. Hall H. Hartmann H. H. Jaffe J. Jortner W. Kutzelnigg K. Ruedenberg E. Scrocco 24 Hans Primas Chemistry, Quantum Mechanics and Reductionism Perspectives in Theoretical Chemistry Springer-Verlag Berlin Heidelberg GmbH 1981 Author Hans Primas Laboratory for Physical Chemistry Swiss Federal Institute of Technology (ETH) ETH-Zentrum, CH-8092 Zurich ISBN 978-3-540-10696-8 ISBN 978-3-662-11314-1 (eBook) DOI 10.1007/978-3-662-11314-1 This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically those of translation, reprinting, re-use of illustrations, broadcasting, reproduction by photocopying machine or similar means, and storage in data banks. Under § 54 of the German Copyright Law where copies are made for other than private use, a fee is payable to "Verwertungsgesellschaft Wort", Munich. © by Springer-Verlag Berlin Heidelberg 1981 Originally published by Springer-Verlag Berlin Heidelberg New York in 1981 2152/3140-543210 CON TEN T S FO/z.eLVO/z.d by Paul. FeyeJLabend •.•.••.••••.•.•.•••.••.•••.••.••.•.•.•......•••••••• V P/z.e6ac.e ••.•••.••...••.••..•••.....••.••....•...•...••.•.••••...•...••..•.•..••• IX Chap.:f;eJL 1: Open PJz.Oblem6 06 .the P/z.uen.t-Vay Theo/z.e;Uc.a..t Chemi...6.tJz.y 1.1 1.2 1.3 1.4 1. 5 The Overproduction of Truth ....................................... 1 Chemi ca 1 Theori es ................................................. 3 "We can calculate everything" ..................................... 5 Some Puzzles of Molecular Quantum Mechanics ...................... 10 New Poi nts of Vi ew Are Needed .................................... 16 Chap.teJL 2: On .the S.tJz.uc..tWl.e 06 Suerz"Ufi).c. Theouu 2.1 2.2 2.3 2.4 2.5 2.6 2.7 Chap.teJL 3: A Good Theory should be Consistent, Confirmed and Intuitable ..... 18 No Theory can be Proved to be Free from Inner Contradictions ..... 23 Experiments can neither Prove a Theory True nor False ............ 25 Preconceptions and Prior Conceptions ............................. 28 There is no Insight without Inner Pictures ....................... 32 Are Theories dangerous? ......................................... 38 Summing Up ....................................................... 43 P~oneeJL Qua.n.tum Mec.ha~C6 and ~ In.teJLp/z.~on 3.1 Introductory Remarks and Preview ................................. 45 3.2 The Historical Development of the Hilbert-Space Model of Pi onee