文档介绍：Fundamentals ofQuantum ChemistryThis page intentionally left blankFundamentals ofQuantumChemistryMolecular Spectroscopyand Modern putationsMichael MuellerRose-Hullman Institute of TechnologyTerre Haute, IndianaKLUWERACADEMIC PUBLISHERS NEW YORK, BOSTON, DORDRECHT, LONDON, MOSCOWeBook ISBN:0-306-47566-9Print ISBN:0-306-46596-5?2002Kluwer Academic PublishersNew York, Boston, Dordrecht, London, MoscowPrint ?2001 Kluwer Academic/Plenum PublishersAll rights reservedNo part of this eBook may be reproduced or transmitted in any form or by any means, electronic,mechanical, recording, or otherwise, without written consent from the PublisherCreated in the United States of AmericaVisit Kluwer Online at: and Kluwer's eBookstore at: YorkForewordAs quantum theory enters its second century, it is fitting to examine justhow far it e as a tool for the chemist. Beginning with Max Planck’sagonizing conclusion in 1900 that linked energy emission in discreet bundlesto the resultant black-body radiation curve, a body of knowledge hasdeveloped with profound consequences in our ability to understand the early years, quantum theory was the providence of physicists andcertain breeds of physical chemists. While physicists honed and refined thetheory and studied atoms and ponent systems, physical chemistsbegan the foray into the study of larger, molecular systems. Quantum theorypredictions of these systems were first verified through experimentalspectroscopic studies in the ic spectrum (microwave, infraredand ultraviolet/visible), and, later, by nuclear ic resonance (NMR) two generations these studies were hampered by two majordrawbacks: lack of resolution of spectroscopic data, and plexity ofcalculations. This powerful theory that promised understanding of thefundamental nature of molecules faced formidable challenges. Thefollowing example may put things in perspective for today’s chemistryfaculty, college seniors or graduate students: As little