Density Functional Theory NATO ASI Series Advanced Science Institutes Series A series presenting the results of activities sponsored by the NA TO Science Committee, which aims at the dissemination of advanced scientific and technological knowledge, with a view to strengthening links between scientific communities. The series is published by an international board of publishers in conjunction with the NATO Scientific Affairs Division A Life Sciences Plenum Publishing Corporation B PhYSics New York and London C Mathematical and Physical Sciences Kluwer Academic Publishers o Behavioral and Social Sciences Dordrecht, Boston, and London E Applied Sciences F Computer and Systems Sciences Springer-Verlag G Ecological Sciences Berlin, Heidelberg, New York, London, H Cell Biology Paris. Tokyo. Hong Kong. and Barcelona I Global Environmental Change Recent Volumes in this Series Volume 330 -Coherent Optical Interactions in Semiconductors edited by R. T. 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Dreizler Institute for Theoretical Physics Johann Wolfgang Goethe University Frankfurt am Main, Germany Springer Science+Business Media, LLC Proceedings of a NATO Advanced Study Institute on Density Functional Theory, held August 16-27, 1993, in II Ciocco, Italy NATO-PCO-DATA BASE The electronic index to the NATO ASI Series provides full bibliographical references (with keywords and/or abstracts) to more than 30,000 contributions from international scientists published in all sections of the NATO ASI Series. Access to the NATO-PCO-DATA BASE is possible in two ways: —via online FILE 128 (NATO-PCO-DATA BASE) hosted by ESRIN, Via Galileo Galilei, I-00044 Frascati, Italy —via CD-ROM "NATO Science and Technology Disk" with user-friendly retrieval software in English, French, and German (©WTV GmbH and DATAWARE Technologies, Inc. 1989). The CD-ROM also contains the AGARD Aerospace Database. The CD-ROM can be ordered through any member of the Board of Publishers or through NATO-PCO, Overijse, Belgium. Library of Congress Catalog1ng-1n-PubI leatIon Data Density functional theory / edited by Eberhard K.U. Gross and Reiner M. Drelzler. p. en. — (NATO ASI series. Series B, Physics : v. 337) "Published 1n cooperation with NATO Scientific Affairs Division." "Proceedings of a NATO Advanced Study Institute on Density Functional Theory, held August 16-27, 1993, In II Ciocco, Italy"- -T.p. verso. Includes bibliographical references and Index. ISBN 978-1-4757-9977-4 1. Density functlonals—Congresses. 2. Mathenatlea 1 physlcs- -Congresses. 3. Quantum theory—Congresses. I. Gross, E. K. U. (Eberhard K. U.), 1953- . II. Drelzler, Reiner M. III. North Atlantic Treaty Organization. Scientific Affairs Division. IV. NATO Advanced Study Institute on Density Functional Theory (1993 : II Ciocco, Italy) V. Series. QC20.7.D43D475 1994 530.4'1 —dc20 94-48908 CIP ISBN 978-1-4757-9977-4 ISBN 978-1-4757-9975-0 (eBook) DOI 10.1007/978-1-4757-9975-0 ©1995 Springer Science+Business Media New York Originally published by Plenum Press, New York in 1995 Softcover reprint of the hardcover 1 st edition 1995 All rights reserved No part of this book may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, microfilming, recording, or otherwise, without written permission from the Publisher SCIENTIFIC WORK OF MARK RASOLT Mark Rasolt was a very talented and creative physicist. We will give a brief resume of his scientific contributions, the variety of his work, and attempt to capture the spirit of his personal qualities that made him so special as a scientist. Mark graduated from the Stevens Institute of Technology in 1965 with a B.S. in Electrical Engineering. On entering Cornell University, also in 1965, he joined the Department of Applied and Engineering Physics taking courses both there and in the Department of Physics. He became the first graduate student of Neil Ashcroft, graduating in 1971 with a Ph.D in Theoretical Physics. Mark then took a postdoctoral fellowship at the National Research Council of Canada, working with Roger Taylor (1971-1973). This was followed by a second postdoctoral fellowship, with Sy Vosko, at the University of Toronto (1973-75). In 1975, he joined the research staff at Battelle in Columbus, Ohio, where he also had a joint appointment at Ohio State University. From 1978, he was a member of the senior research staff at Oak Ridge National Laboratory. During his time at Oak Ridge, Mark held a variety of visiting professor appointments at a number of major universities and research laborat9ries in several countries. Mark was the author or co-author of more than one hundred scientific papers and review articles. He was a Fellow of the American Physical Society. Toward the end of his life Mark's general areas of expertise included the the­ ory of highly correlated Bose and Fermi systems, quantum Hall effect, valley waves in semiconductors, electrons in high magnetic fields, superconductivity, and density functional theory. However, Mark's early work was on the nonlocal electron-ion in­ teraction in metals and the resulting implications for ion-ion potentials. This led to a number of papers involving both bulk materials and surface properties, and it necessarily required the study of the effects of exchange and correlation on charge distributions in metals and led to the study of nonlocality on the Fermi surface of metals. His work on fundamental properties of density-density correlation functions led in a natural way to their implications for the density functional theory of inhomo­ geneous many-electron systems, which had been developed by Hohenberg and Kohn, and Kohn and Sham. From the early 1970s, Mark made fundamental contributions to density func­ tional theory. He understood very early on the fascinating consequences of corre­ lations between electrons in inhomogeneous many-electron systems and how they differ in a quite fundamental way from the behaviour of their homogeneous single­ component counterparts. He made basic contributions to an understanding of these nonuniform systems in a series of papers with Wally Geldart. For the density-fuctional v Mark Rasolt in 1988 (Courtesy of G. Vignale) vi community, in particular, we might add at this point that from about 1987, together with Giovanni Vignale, Mark made a second important contribution to density func­ tional theory by developing the theory of inhomogeneous many-electron systems in magnetic fields in terms of spin and current density functionals. This provided an important extension of the work of Hohenberg, Kohn and Sham. These two growing fields, correlations in inhomogeneous many-electron systems, and density functional theory of electrons in high magnetic fields can clearly be identified as areas where Mark has made lasting contributions to condensed matter physics. It is really remarkable that during this time, Mark was simultaneously pursu­ ing with great vigour interests in a number of other fields, and we want to give a brief overview of this work as well. In the area of critical phenonmena, he studied dilute Bose gases, with applications to 4He on vycor, and collaborated with Michael Stephen and Michael Fisher. With Tony Haymet, Mark studied the critical properties of effective Hamiltonians described in terms of higher order tensor order parameters, with his most recent contribution being an application to C60 . Mark also made a number of contributions to surface physics, not only within density functional theory but also to dl:"ective potentials and chemisorption. Dating back from his very early days (when he almost became a plasma physicist at Cornell!), Mark also had a deep interest in semiconductors. He worked on electron-hole droplets, introduced the con­ cept of valley waves in semiconductors and studied electron-hole lifetimes in plasmas in semiconducting systems. From very early on, Mark was also keenly interested in the properties of quan­ tum systems in magnetic fields. He worked with Eric Fawcett on the interpretation of magnetoresistance in iron. He contributed to the modern theory of the quan­ tum Hall effect, both integer and fractional, in papers with Allan MacDonald, Bert Halperin, Francois Perrot and others. He also contributed to the theory of high Tc superconductivity with a number of people, including Dennis Newns and Giovanni Vignale. One of Mark's most recent contrihutions was the remarkable prediction that low-density carrier systems in very high magnetic fields may be induced to go into a new superconducting state. This is very different from what is expected on the basis of COllllllon "garden variety" of quantum systems in magnetic fields. This new quantum state in very high magnetic fields is being actively searched for in ongoing experiments. In all of these areas, Mark made truly unique contributions. Very few people have contributed to so many areas in so short a time span. Very special personal characteristics and qualities as a scientist are required in order to do this. To choose but a few words to describe him, Mark was truly original and intensely creative. His work involved new ideas, not just doing something a bit better or a bit different.