- Email: [email protected]
Computer Physics Communications – List of Editors
Computer Physics Communications 149 (2002) iii–v www.elsevier.com/locate/cpc
Computer Physics Communications – List of Editors
Honorary Editor: P.G. BURKE, Belfast Principal Editors James W. EASTWOOD Culham Science Centre, Abingdon, Oxfordshire OX14 3ED, UK John E. INGLESFIELD Department of Physics and Astronomy, University of Wales, Cardiff, P.O. Box 913, Cardiff CF24 3YB, UK Fred JAMES CERN, EP Division, CH-1211 Geneva 23, Switzerland David P. LANDAU Center for Simulational Physics, The University of Georgia, Athens, GA 30601-2451, USA Peter R. TAYLOR San Diego Supercomputer Center, MC 0505, University of California, 9500 Gilman Drive, Building 109, La Jolla, CA 92093, USA Donald G. TRUHLAR University of Minnesota, Department of Chemistry, 207 Pleasant Street S.E., Minneapolis, MN 55455, USA
Program Library Director Emeritus P.G. BURKE Department of Applied Mathematics, Queen’s University of Belfast, Belfast BT7 1NN, N. Ireland Program Library Director N.S. SCOTT School of Computer Science, Queen’s University of Belfast, Belfast BT7 1NN, N. Ireland E-mail: [email protected] Program Librarian Miss C. JACKSON Department of Applied Mathematics, Queen’s University of Belfast, Belfast BT7 1NN, N. Ireland E-mail: [email protected]
R. LISKA Czech Technical University in Prague, Faculty of Nuc. Sci. and Phys. Eng., Brehova 7, 115 19 Prague 1, Czech Republic T. STURM Universität Passau, Fakultät für Mathematik und Informatik, D94030 Passau, Germany Algorithms, software and architectures I.S. DUFF Rutherford Appleton Laboratory, Chilton, Dideot, Oxon OX11 0QX, UK J.S. KIM Department of Physics, Pohang University of Science and Technology, Pohang 790-784, Republic of Korea
Editors in specialist fields Algebraic manipulation
W. SCHÖNAUER Universität Karlsruhe, Rechenzentrum, Zirkel 2, Postfach 6980, D76128 Karlsruhe, Germany
E.S. CHEB-TERRAB Simon Fraser University, Centre for Experimental and Constructive Mathematics, Vancouver, BC, Canada V5A 1S6
N.S. SCOTT School of Computer Science, Queen’s University Belfast, Belfast BT7 1NN, N. Ireland
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List of Editors
Atomic and molecular dynamics and spectra G.B. BACSKAY University of Sydney, School of Chemistry, Bldg. F11, Sydney, NSW 2006, Australia D.C. CLARY University College London, Department of Chemistry, 20 Gordon Street, London, UK WC1H 0AJ G. GALLI Lawrence Livermore Nat. Laboratory, P.O. Box 808, L-407 Livermore, CA 94551, USA F.A. GIANTURCO Univ. d. Studi di Roma ‘La Sapienza’, Dipartimento di Chimica, Città Universitaria, I-00185 Roma, Italy
W.M. KLOPPER Utrecht University, Debye Institute, P.O. Box 80 052, 3508 TB Utrecht, The Netherlands J.A. NICHOLS W.R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P.O. Box 9999, K1-96, Richland, WA 99352, USA I. SHAVITT Department of Chemistry, University of Illinois, 600 S. Mathews Str., Urbana, IL 61801, USA J.F. STANTON University of Texas at Austin, Campus Mail Code: A5300, Austin, TX 78712-1081, USA Biophysics and biochemistry
R. KOSLOFF University of Jerusalem, Department of Physical Chemistry, 91904 Jerusalem, Israel D.J. KOURI University of Houston, Department of Physics, 617 Science and Research Building 1, Houston, TX 77204-5005, USA C. LEFORESTIER Université Montpellier II, LSDSMS, Batiment 15, CC 014, Place Eugène Bataillon, F-34095 Cedex 5 Montpellier Cedex 5, France H. NAKAMURA Institute for Molecular Science, Myodaiiji, Okazaki 444, Japan C.J. NOBLE Daresbury Laboratory, Dept. of Sci. and Eng. Computation, Daresbury, Warrington, Cheshire, UK WA4 4AD J.F. READING Texas A&M University, Dept of Physics, College Station, TX 77843-4242, USA
M. COLVIN Biology and Biotechnology Research Program, Lawrence Livermore Natl. Laboratory, Mailstop L-452, Livermore, CA 94550, USA M.J. FIELD Laboratoire de Dynamique Moléculaire, Institut de Biologie Structurale – Jean Pierre Ebel, 41, rue Jules Horowitz, F-38027 Grenoble Cedex 1, France B.M. PETTITT Department of Chemistry, University of Houston, 4800 Calhoun Street, Houston, TX 77204-5641, USA J. SMITH IWR – Universität Heidelberg, Im Neuenheimer Feld 368, D-69120 Heidelberg, Germany Condensed matter physics C.R.A. CATLOW Royal Institution of Great Britain, Davy Faraday Research Laboratory, 21 Albemarle Street, London W1X 4BS, UK
G.C. SCHATZ Northwestern University, Dept of Chemistry, 2145 Sheridan Road, Evanston, IL 60208-3113, USA
S. CRAMPIN University of Bath, Faculty of Science, Department of Physics, Claverton Down, Bath, UK BA2 7AY
T. SEIDEMAN Steacie Inst. for Molecular Sciences, National Res. Council Canada, 100 Sussex Drive, Ottawa, Ont., Canada K1A OR6
R. HAYDOCK Department of Physics, University of Oregon, 1371E 13th Avenue, Eugene, OR 97403, USA
Atomic and molecular structure and properties
Y. OKABE Department of Physics, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397, Japan
H. AGREN Royal Institute of Technology (KTH), Theoretical Chemistry, Teknikringen 30, S-100 44 Stockholm, Sweden S. CANUTO University of Sao Paulo, Department of Physics, CP 66318, 05315970 Sao Paulo, SP, Brazil W. DUCH Nicholas Copernicus University, Department of Computer Methods, ul. Grudziadzka 5, 87-100 Torun, Poland A. HIBBERT The Queen’s University of Belfast, Dept. Applied Mat. & Theor. Physics, Belfast, Northern Ireland, UK BT7 1NN
K. RABE Dept. of Physics and Astronomy, Rutgers University, 136 Frelinghuysen, Piscataway, NJ 08854-8019, USA S.B. TRICKEY QTP–Physics, University of Florida, Box 118440, Gainesville, FL 32611-8440, USA Electromagnetics and photonics A. BONDESON Dept. of Electromagnetics, Chalmers University of Technology, S412 96 Göteborg, Sweden
List of Editors
Gravity and astrophysics H. COUCHMAN University of Western Ontario, Department of Physics & Astronomy, London, ON, N6A 3K7, Canada M.L. NORMAN Dept. of Physics, University of California, MC0424, 9500 Gilman Drive, La Jolla, CA 92093-0424, USA E. SEIDEL Max-Planck-Institut für Gravitationsphysik, Albert-Einstein-Institut, Schlaatzweg 1, D-14473 Potsdam, Germany
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Nuclear physics I.R. AFNAN School of Physical Sciences, The Flinders University of South Australia, G.P.O Box 2100, Adelaide, 5001, Australia B.S. NILSSON Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen, Denmark V.R. PANDHARIPANDE Department of Physics, University of Illinois, Loomis Laboratory of Physics, 1110 West Green Street, Urbana, IL 61801-3080, USA Plasma physics
High energy physics A.D. KENNEDY Maxwell Institute, The University of Edinburgh, King’s Building, Mayfield Road, Edinburgh EH9 3JZ, Scotland, UK R.H.P. KLEISS Institute for Theoretical Physics, University of Nijmegen, P.O. Box 9010, 6500GL Nijmegen, The Netherlands C.B. LANG Institut für Theoretische Physik, Universität Graz, Universitätsplatz 5, A-8010 Graz, Austria
D.F. DÜCHS Allgemeine Theorie, Max-Planck-Institut für Plasmaphysik, Postfach 1533, D-85740 Garching bei München, Germany M. O’BRIEN EURATOM/UKAEA Fusion Association, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB, UK R. SYDORA Department of Physics, University of Alberta, Edmonton, Alb., Canada T6G 2J1 Polymers
J. LINNEMANN Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1116, USA
A. BALAZS Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA 15261, USA
Y. OYANAGI Department of Information Science, Faculty of Science, University of Tokyo, Hongo’o 7-3-1, Bukyo Ku, 113, Tokyo, Japan
K. KREMER Max-Planck-Institut für Polymerforschung, Ackermannweg 10, D55128 Mainz, Germany
C. REBBI Physics Department, Boston University, 590 Commonwealth Avenue, Boston, MA 02215, USA
P.L. TAYLOR Department of Physics, Case Western Reserve University, 10900 Euclid Ave., Cleveland, OH 44106-7079, USA
Z. WAS ¸ Institute of Nuclear Physics, Dept. of High Energy Physics, ul. Kawiory 26a, PL-30 055 Krakow, Poland
A. YETHIRAJ Department of Chemistry, University of Wisconsin, Madison, WI 53706, USA
Materials physics
Statistical mechanics and many body physics
J. BERNHOLC Department of Physics, North Carolina State University, Box 8202, Raleigh, NC 27695-8205, USA M. DUPUIS Pacific Northwest National Laboratory, W.R. Wiley Environmental Molecular Sciences Laboratory, P.O. Box 999, K8-91, Richland, WA 99352, USA E.B. STECHEL Ford Motor Company, 2101 Village Road, MD 3383/SRL Room 3313, Receiving R. Bldg. R, Dearborn, MI 48121, USA
K. BINDER Institut für Physik, Johannes-Gutenberg-Universität Mainz, Postfach 3980, D-55116 Mainz, Germany M. PARRINELLO Max-Planck-Institute für Festkörperforschung, Heisenberg-strasse 1, Postfach 800665, D-70506 Stuttgart, Germany Statistics and data analysis J. LINNEMANN Department of Physics, Michigan State University, East Lansing, MI 48824-1116, USA
Computer Physics Communications – List of Editors
Honorary Editor: P.G. BURKE, Belfast Principal Editors James W. EASTWOOD Culham Science Centre, Abingdon, Oxfordshire OX14 3ED, UK John E. INGLESFIELD Department of Physics and Astronomy, University of Wales, Cardiff, P.O. Box 913, Cardiff CF24 3YB, UK Fred JAMES CERN, EP Division, CH-1211 Geneva 23, Switzerland David P. LANDAU Center for Simulational Physics, The University of Georgia, Athens, GA 30601-2451, USA Peter R. TAYLOR San Diego Supercomputer Center, MC 0505, University of California, 9500 Gilman Drive, Building 109, La Jolla, CA 92093, USA Donald G. TRUHLAR University of Minnesota, Department of Chemistry, 207 Pleasant Street S.E., Minneapolis, MN 55455, USA
Program Library Director Emeritus P.G. BURKE Department of Applied Mathematics, Queen’s University of Belfast, Belfast BT7 1NN, N. Ireland Program Library Director N.S. SCOTT School of Computer Science, Queen’s University of Belfast, Belfast BT7 1NN, N. Ireland E-mail: [email protected] Program Librarian Miss C. JACKSON Department of Applied Mathematics, Queen’s University of Belfast, Belfast BT7 1NN, N. Ireland E-mail: [email protected]
R. LISKA Czech Technical University in Prague, Faculty of Nuc. Sci. and Phys. Eng., Brehova 7, 115 19 Prague 1, Czech Republic T. STURM Universität Passau, Fakultät für Mathematik und Informatik, D94030 Passau, Germany Algorithms, software and architectures I.S. DUFF Rutherford Appleton Laboratory, Chilton, Dideot, Oxon OX11 0QX, UK J.S. KIM Department of Physics, Pohang University of Science and Technology, Pohang 790-784, Republic of Korea
Editors in specialist fields Algebraic manipulation
W. SCHÖNAUER Universität Karlsruhe, Rechenzentrum, Zirkel 2, Postfach 6980, D76128 Karlsruhe, Germany
E.S. CHEB-TERRAB Simon Fraser University, Centre for Experimental and Constructive Mathematics, Vancouver, BC, Canada V5A 1S6
N.S. SCOTT School of Computer Science, Queen’s University Belfast, Belfast BT7 1NN, N. Ireland
iv
List of Editors
Atomic and molecular dynamics and spectra G.B. BACSKAY University of Sydney, School of Chemistry, Bldg. F11, Sydney, NSW 2006, Australia D.C. CLARY University College London, Department of Chemistry, 20 Gordon Street, London, UK WC1H 0AJ G. GALLI Lawrence Livermore Nat. Laboratory, P.O. Box 808, L-407 Livermore, CA 94551, USA F.A. GIANTURCO Univ. d. Studi di Roma ‘La Sapienza’, Dipartimento di Chimica, Città Universitaria, I-00185 Roma, Italy
W.M. KLOPPER Utrecht University, Debye Institute, P.O. Box 80 052, 3508 TB Utrecht, The Netherlands J.A. NICHOLS W.R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P.O. Box 9999, K1-96, Richland, WA 99352, USA I. SHAVITT Department of Chemistry, University of Illinois, 600 S. Mathews Str., Urbana, IL 61801, USA J.F. STANTON University of Texas at Austin, Campus Mail Code: A5300, Austin, TX 78712-1081, USA Biophysics and biochemistry
R. KOSLOFF University of Jerusalem, Department of Physical Chemistry, 91904 Jerusalem, Israel D.J. KOURI University of Houston, Department of Physics, 617 Science and Research Building 1, Houston, TX 77204-5005, USA C. LEFORESTIER Université Montpellier II, LSDSMS, Batiment 15, CC 014, Place Eugène Bataillon, F-34095 Cedex 5 Montpellier Cedex 5, France H. NAKAMURA Institute for Molecular Science, Myodaiiji, Okazaki 444, Japan C.J. NOBLE Daresbury Laboratory, Dept. of Sci. and Eng. Computation, Daresbury, Warrington, Cheshire, UK WA4 4AD J.F. READING Texas A&M University, Dept of Physics, College Station, TX 77843-4242, USA
M. COLVIN Biology and Biotechnology Research Program, Lawrence Livermore Natl. Laboratory, Mailstop L-452, Livermore, CA 94550, USA M.J. FIELD Laboratoire de Dynamique Moléculaire, Institut de Biologie Structurale – Jean Pierre Ebel, 41, rue Jules Horowitz, F-38027 Grenoble Cedex 1, France B.M. PETTITT Department of Chemistry, University of Houston, 4800 Calhoun Street, Houston, TX 77204-5641, USA J. SMITH IWR – Universität Heidelberg, Im Neuenheimer Feld 368, D-69120 Heidelberg, Germany Condensed matter physics C.R.A. CATLOW Royal Institution of Great Britain, Davy Faraday Research Laboratory, 21 Albemarle Street, London W1X 4BS, UK
G.C. SCHATZ Northwestern University, Dept of Chemistry, 2145 Sheridan Road, Evanston, IL 60208-3113, USA
S. CRAMPIN University of Bath, Faculty of Science, Department of Physics, Claverton Down, Bath, UK BA2 7AY
T. SEIDEMAN Steacie Inst. for Molecular Sciences, National Res. Council Canada, 100 Sussex Drive, Ottawa, Ont., Canada K1A OR6
R. HAYDOCK Department of Physics, University of Oregon, 1371E 13th Avenue, Eugene, OR 97403, USA
Atomic and molecular structure and properties
Y. OKABE Department of Physics, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397, Japan
H. AGREN Royal Institute of Technology (KTH), Theoretical Chemistry, Teknikringen 30, S-100 44 Stockholm, Sweden S. CANUTO University of Sao Paulo, Department of Physics, CP 66318, 05315970 Sao Paulo, SP, Brazil W. DUCH Nicholas Copernicus University, Department of Computer Methods, ul. Grudziadzka 5, 87-100 Torun, Poland A. HIBBERT The Queen’s University of Belfast, Dept. Applied Mat. & Theor. Physics, Belfast, Northern Ireland, UK BT7 1NN
K. RABE Dept. of Physics and Astronomy, Rutgers University, 136 Frelinghuysen, Piscataway, NJ 08854-8019, USA S.B. TRICKEY QTP–Physics, University of Florida, Box 118440, Gainesville, FL 32611-8440, USA Electromagnetics and photonics A. BONDESON Dept. of Electromagnetics, Chalmers University of Technology, S412 96 Göteborg, Sweden
List of Editors
Gravity and astrophysics H. COUCHMAN University of Western Ontario, Department of Physics & Astronomy, London, ON, N6A 3K7, Canada M.L. NORMAN Dept. of Physics, University of California, MC0424, 9500 Gilman Drive, La Jolla, CA 92093-0424, USA E. SEIDEL Max-Planck-Institut für Gravitationsphysik, Albert-Einstein-Institut, Schlaatzweg 1, D-14473 Potsdam, Germany
v
Nuclear physics I.R. AFNAN School of Physical Sciences, The Flinders University of South Australia, G.P.O Box 2100, Adelaide, 5001, Australia B.S. NILSSON Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen, Denmark V.R. PANDHARIPANDE Department of Physics, University of Illinois, Loomis Laboratory of Physics, 1110 West Green Street, Urbana, IL 61801-3080, USA Plasma physics
High energy physics A.D. KENNEDY Maxwell Institute, The University of Edinburgh, King’s Building, Mayfield Road, Edinburgh EH9 3JZ, Scotland, UK R.H.P. KLEISS Institute for Theoretical Physics, University of Nijmegen, P.O. Box 9010, 6500GL Nijmegen, The Netherlands C.B. LANG Institut für Theoretische Physik, Universität Graz, Universitätsplatz 5, A-8010 Graz, Austria
D.F. DÜCHS Allgemeine Theorie, Max-Planck-Institut für Plasmaphysik, Postfach 1533, D-85740 Garching bei München, Germany M. O’BRIEN EURATOM/UKAEA Fusion Association, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB, UK R. SYDORA Department of Physics, University of Alberta, Edmonton, Alb., Canada T6G 2J1 Polymers
J. LINNEMANN Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1116, USA
A. BALAZS Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA 15261, USA
Y. OYANAGI Department of Information Science, Faculty of Science, University of Tokyo, Hongo’o 7-3-1, Bukyo Ku, 113, Tokyo, Japan
K. KREMER Max-Planck-Institut für Polymerforschung, Ackermannweg 10, D55128 Mainz, Germany
C. REBBI Physics Department, Boston University, 590 Commonwealth Avenue, Boston, MA 02215, USA
P.L. TAYLOR Department of Physics, Case Western Reserve University, 10900 Euclid Ave., Cleveland, OH 44106-7079, USA
Z. WAS ¸ Institute of Nuclear Physics, Dept. of High Energy Physics, ul. Kawiory 26a, PL-30 055 Krakow, Poland
A. YETHIRAJ Department of Chemistry, University of Wisconsin, Madison, WI 53706, USA
Materials physics
Statistical mechanics and many body physics
J. BERNHOLC Department of Physics, North Carolina State University, Box 8202, Raleigh, NC 27695-8205, USA M. DUPUIS Pacific Northwest National Laboratory, W.R. Wiley Environmental Molecular Sciences Laboratory, P.O. Box 999, K8-91, Richland, WA 99352, USA E.B. STECHEL Ford Motor Company, 2101 Village Road, MD 3383/SRL Room 3313, Receiving R. Bldg. R, Dearborn, MI 48121, USA
K. BINDER Institut für Physik, Johannes-Gutenberg-Universität Mainz, Postfach 3980, D-55116 Mainz, Germany M. PARRINELLO Max-Planck-Institute für Festkörperforschung, Heisenberg-strasse 1, Postfach 800665, D-70506 Stuttgart, Germany Statistics and data analysis J. LINNEMANN Department of Physics, Michigan State University, East Lansing, MI 48824-1116, USA