Bengt Lundqvist

Professor Emeritus at Physics

Short CURRICULUM VITAE for Bengt I. Lundqvist

Born: February 20, 1938, in Göteborg, Sweden.

Business address: Physics dept., Chalmers Univ. of Techn. (CUT),
S-412 96 Göteborg, Sweden.

Exams and Awards: PhD in Theoretical physics, CUT1969,
docent in Solid state theory, CUT1969.
Fellow of the American Phys. Society 2004.

Positions: Various research and teaching positions, up to the
docent-position level, at CUT 1959-1972;
Special scientist, condensed matter theory, at the Swedish
Natural Science Research Council 1972-74;
Professor in physics, Aarhus University 1974-78;
Professor in theoretical physics, University of Linköping, 1978;
Professor in mathematical physics, CUT and Göteborg Univ.1978 - 2005;
Professor emeritus at CUT 2005--.

Visiting positions: Visiting fellow at Cornell University (CU) 1970;
Visiting professor at CU 1973-74;
Guest scientist at IBM, Yorktown Heights 1982;
Visiting professor at CU 1983;
Visiting professor at DTU 1984;
Visiting professor at Rutgers University 1991, 1993, 1997, and 1999;
Corresponding fellow at NORDITA 1996-97;
Visiting scientist at Max Planck Inst., Stuttgart, 2005-6;
Visiting professor at CAMD, DTU 2005-10.

Academic commitments: On board of Inst.of Phys., Univ. Aarhus 1975-77;
Chairman for the Physics Computer Services at CUT 1979-90;
Vicechairman of Inst. of Theoretical Physics, CUT/GU 1979-81;
Member of the Board of the Cond. Matter Div. of the Eur. Phys. Soc.1979-82;
Member of the Board of CUT 1980-83; vice-dean of the Techn. Faculty, member of the
Techn. Faculty Council and of the President advisory group of CUT 1980-83;
Member of the Committee of the Surface and Interface Section of the Condensed
Matter Division of the European Physical Society 1981-87;
Chairman of the Institute of Theoretical Phys., GU/CUT, 1981-84;
Dean of the School of Phys.and Engin. Phys. and chairman of the Phys. Faculty Council
of GU/CUT 1983-87;
elected member and later chairman of the Committee of the Condensed Matter Division
of the Swedish Phys.Soc.1982-97,
member and mostly chairman of the Board of the Consortium for Heavy Computations
at CUT 1987-2002;
Leader of the NUTEK/NFR/SSF-supported Interdisciplinary Materials Consortium #9
"Theoretical and Computational Materials Physics" 1990-2000;
Elected member of the Board for Coord. of the Swedish Materials Consortia 1990-93;
Chairman of CUT/GU Physics Dean's committees on engineering-physics teaching and
buildings 2000-02;
Chairman of Department of Applied physics, GU/ CUT, 2000-5.

Graduate supervision: About 30 PhD's -
Virulh Sa-yakanith (AS = Assistant Supervisor),
Olle Gunnarsson,
Christer Lydén (AS),
Hans Hjelmberg,
Jens K. Nørskov (Aarhus University).
Peder Johansson (AS),
Mats Persson,
Bo Hellsing,
Peter Nordlander,
Claes Holmberg,
Stefan Holmström,
Aare Mällo,
Lotta Hedenäs,
Christer Engdahl,
Tony Fondén,
Jairo Giraldo,
Uno Yxklinten,
Ylva Andersson,
Johan Strömquist,
Alexander Bogicevic,
Jan Hartford,
Yashar Yourdshahyan,
Erika Hult,
Carlo Ruberto,
Henrik Rydberg,
Staffan Ovesson,
Sergey Dudiy,
Behrooz Razaznejad,
Anders Hellman,
Alexandra Vojvodic (AS),
André Kelkkanen (AS, DTU) - and 24 licentiates.

Scientific papers: About 150 papers in international journals.
About 33,000 citations in total, average citations per item 200.

Educational activities: More than forty years of teaching (25 % of position
duties) at most levels and in varying forms in many diffrent courses in
theoretical physics.
Pet activity: project-related training (since 1974),
with focus on multi-pronged examination.

Source: chalmers.se
Image of Bengt Lundqvist

Showing 69 publications

2017

The vdW-DF Family of Non-Local Exchange-Correlation Functionals

Elsebeth Schröder, Valentino R Cooper, Kristian Berland et al
Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications, p. Chapter 8-
Book chapter
2015

van der Waals forces in density functional theory: a review of the vdW-DF method

Kristian Berland, Valentino R Cooper, Kyuho Lee et al
Reports on Progress in Physics. Vol. 78 (6), p. 066501-
Journal article
2014

van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions

Kristian Berland, Calvin A. Arter, Valentino R Cooper et al
Journal of Chemical Physics. Vol. 140 (18), p. 18A539 -
Journal article
2012

Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces

Kyuho Lee, Kristian Berland, Mina Yoon et al
Journal of Physics Condensed Matter. Vol. 24 (42), p. artikel nr 424213-
Journal article
2011

Evaluation of a density functional with account of van der Waals forces using experimental data of H2 physisorption on Cu(111)

Kuyho Lee, André Kelkkanen, Kristian Berland et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 84, p. 193408-
Journal article
2011

Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

A. Mogelhoj, A. K. Kelkkanen, K. T. Wikfedt et al
Journal of Physical Chemistry B. Vol. 115 (48), p. 14149-14160
Journal article
2011

van der Waals effect in weak adsorption affecting trends in adsorption, reactivity, and the view of substrate nobility

A.K. Kelkkanen, Bengt Lundqvist, J.K. Nørskov
Physical Review B - Condensed Matter and Materials Physics. Vol. 83 (11)
Journal article
2010

Molecular systems, growth and overlayers: van der Waals density functional and first-principles thermodynamics calculations

Kristian Berland, Jochen Rohrer, A Kelkkanen et al
SNIC progress report 08/09. Swedish national infrastructure for computing.
Book chapter
2010

Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors

Aleksandra Vojvodic, Carlo Ruberto, Bengt Lundqvist
Journal of Physics Condensed Matter. Vol. 22 (37)
Journal article
2010

RPBE-vdW Description of Benzene Adsorption on Au(111)

J Wellendorff, A Kelkkanen, J J Mortensen et al
Topics in Catalysis. Vol. 53 (5-6), p. 378-
Journal article
2010

Comment on "Nonlocal Van Der Waals Density Functional Made Simple”

D. C. Langreth, Bengt Lundqvist
Physical Review Letters. Vol. 104 (9)
Journal article
2010

Higher-accuracy van der Waals density functional

K. Lee, E. D. Murray, L. Z. Kong et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 82 (8)
Journal article
2009

Density functional for van der Waals forces accounts for hydrogen bond benchmark set of water hexamers

AK Kelkkanen, Bengt Lundqvist, Jens K. Norskov
Journal of Chemical Physics. Vol. 131 (4), p. 046102-
Journal article
2009

Density functional study of the adsorbtion and van der Waals binding of aromatic and conjugated compounds on the basal plane of MoS2

PG Moses, J. J. Mortensen, Bengt Lundqvist et al
Journal of Chemical Physics. Vol. 130 (10), p. 104709-
Journal article
2009

A density functional for sparse matter

D. C. Langreth, Bengt Lundqvist, Svetla Chakarova Käck et al
Journal of Physics Condensed Matter. Vol. 21 (8), p. 084203-
Journal article
2009

Electron Transfer and Nonadiabaticity

Bengt Lundqvist, Anders Hellman, Igor Zoric
Handbook of Surface Science, vol 3
Book chapter
2009

Stacking Interactions and DNA Intercalation

S Li, VR Cooper, Timo Thonhauser et al
Journal of Physical Chemistry B. Vol. 113 (32), p. 11166-
Journal article
2009

From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides

Aleksandra Vojvodic, Anders Hellman, Carlo Ruberto et al
Physical Review Letters. Vol. 103 (14), p. 146103-
Journal article
2008

Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory

K Johnston, Jesper Kleis, Bengt Lundqvist
Phys. Rev. B. Vol. 77, p. 121404-
Journal article
2008

Chapter 10 Electron Transfer and Nonadiabaticity

Bengt Lundqvist, Anders Hellman, Igor Zoric
Handbook of Surface Science. Vol. 3, p. 429-524
Journal article
2008

Stacking Interactions and the Twist of DNA

V.R. Cooper, Timo Thonhauser, Aaron Puzder et al
Journal of the American Chemical Society. Vol. 130, p. 1304-
Journal article
2008

Understanding Heterogeneous Catalysis from the Fundamentals

T. Bligaard, Jens K. Norskov, Bengt Lundqvist
Handbook of Surface Science. Vol. 3, p. 269-340
Journal article
2007

Nature of Versatile Chemisorption on TiC(111) and TiN(111) Surfaces

Carlo Ruberto, Aleksandra Vojvodic, Bengt Lundqvist
Solid State Communications. Vol. 141, p. 48-52
Journal article
2007

Nature of adsorption on TiC(111) investigated with density-functional calculations

Carlo Ruberto, Bengt Lundqvist
Physical Review B - Condensed Matter and Materials Physics. Vol. 75 (23), p. 31-
Journal article
2007

Towards a working density-functional theory for polymers: First-principles determination of the polyethylene crystal structure

Jesper Kleis, Bengt Lundqvist, David C. Langreth et al
Physical Review B. Vol. 76 (10), p. 100201(R)-
Journal article
2006

Adsorption of phenol on graphite(0001) and α-Al2O3(0001): Nature of van der Waals bonds from first-principles calculations

Svetla Chakarova Käck, Øyvind Borck, Elsebeth Schröder et al
Physical Review B. Vol. 74, p. 155402-
Journal article
2006

Nature of Chemisorption on Titanium Carbide and Nitride

Carlo Ruberto, Aleksandra Vojvodic, Bengt Lundqvist
Surface Science. Vol. 600, p. 1612-
Journal article
2006

Nature of Bond between SiC and Graphite

Eleni Ziambaras, Carlo Ruberto, Bengt Lundqvist et al
Report
2006

Non-adiabatic Effects in Initial Sticking

Anders Hellman, Igor Zoric, Bengt Lundqvist
Focus on Surface Science Research, p. 1-38
Book chapter
2006

Trends in Atomic Adsorption on Titanium Carbide and Nitride

Aleksandra Vojvodic, Carlo Ruberto, Bengt Lundqvist
Surface Science. Vol. 600, p. 3619-3623
Journal article
2006

First-principles determination of the polyethylene crystal structure

Jesper Kleis, Bengt Lundqvist, David C. Langreth et al
Preprint
2006

Comment on "Attracted by Long-Range Electron Correlation: Adenine on Graphite"

Svetla Chakarova Käck, Elsebeth Schröder, Bengt Lundqvist et al
Report
2006

Application of van der Waals Density Functional to an Extended System: Adsorption of Benzene and Naphthalene on Graphite

Svetla Chakarova Käck, Elsebeth Schröder, Bengt Lundqvist et al
Physical Review Letters. Vol. 96 (14), p. 146107-
Journal article
2005

NO oxidation properties of Pt(111) revealed by ab initio kinetic simulations

Bengt Lundqvist
Physical Review B. Vol. 71, p. 115406-
Journal article
2005

Non-adiabatic Effects in Initial Sticking

Anders Hellman, Igor Zoric, Bengt Lundqvist
Book
2005

One-dimensional electron systems for anchoring growth of carbon nanostructures

Per Hyldgaard, Niclas Jacobson, Carlo Ruberto et al
Computational Materials Science. Vol. 33, p. 356-
Journal article
2005

Van der Waals density functional for general geometries (vol 92, art no 246401, 2004)

M. Dion, Henrik Rydberg, Elsebeth Schröder et al
PHYSICAL REVIEW LETTERS. Vol. 95, p. 109902-
Journal article
2005

Van der Waals Density Functional Theory with Applications

D. C. Langreth, Max Dion, Henrik Rydberg et al
International Journal of Quantum Chemistry. Vol. 101 (5), p. 599-610
Journal article
2004

Van der Waals Density Functional for General Geometries

Max Dion, Henrik Rydberg, Elsebeth Schröder et al
Phys. Rev. Lett.. Vol. 92, p. 246401-
Journal article
2003

Surface properties of metastable alumina: A comparative study of κ- and α-Al2O3

Carlo Ruberto, Yashar Yourdshahyan, Bengt Lundqvist
Physical Review B. Vol. 67, p. 195412-
Journal article
2003

Hard numbers on soft matter

Henrik Rydberg, Niclas Jacobson, Per Hyldgaard et al
SURFACE SCIENCE. Vol. 532, p. 606-
Journal article
2003

Van der Waals Density Functional for Layered Structures

Henrik Rydberg, Max Dion, Niclas Jacobson et al
Phys. Rev. Lett.. Vol. 91, p. 126402-
Journal article
2003

Self-Organized One-Dimensional Electron Systems on a Low-Symmetry Oxide Surface

Behrooz Razaznejad, Carlo Ruberto, Per Hyldgaard et al
Physical Review Letters. Vol. 90 (23), p. 236803-
Journal article
2003

Initial sticking of O2 modeled by nonadiabatic charge transfer

Anders Hellman, Behrooz Razaznejad, Y. Yourdshahyan et al
Surf. Sci.. Vol. 532-535, p. 126-
Journal article
2002

Adiabatic potential-energy surfaces for oxygen on Al(111)

Yashar Yourdshahyan, Behrooz Razaznejad, Bengt Lundqvist
PHYSICAL REVIEW B. Vol. 65, p. 075416-
Journal article
2002

Hydrogen dynamics in magnesium and graphite

Niclas Jacobson, Bengt Tegner, Elsebeth Schröder et al
Computational Materials Science. Vol. 24, p. 273-277
Journal article
2002

Bridging between micro- and macroscales of materials by mesoscopic models

Bengt Lundqvist, Alexander Bogicevic, Sergey V. Dudiy et al
COMPUTATIONAL MATERIALS SCIENCE. Vol. 24, p. 1-
Journal article
2002

Dissociative adsorption of NO upon Al(111): Orientation dependent charge transfer and chemisorption reaction dynamics

A.J. Komrowski, K. Ternow, Behrooz Razaznejad et al
JOURNAL OF CHEMICAL PHYSICS. Vol. 117, p. 8185-
Journal article
2002

Stability of oxygen adsorption sites and ultrathin aluminum oxide films on Al(111)

A. Kiejna, Bengt Lundqvist
SURFACE SCIENCE. Vol. 504, p. 1-
Journal article
2002

Stability of a Flexible Polar Ionic Crystal Surface: Metastable Alumina and One-Dimensional Surface Metallicity

Carlo Ruberto, Yashar Yourdshahyan, Bengt Lundqvist
Physical Review Letters. Vol. 88 (22), p. 226101-
Journal article
2002

Bridging between micro- and macroscales of materials by mesoscopic models

Bengt Lundqvist, Alexander Bogicevic, Sergey V. Dudiy et al
Computational Materials Science. Vol. 24, p. 1-
Journal article
2002

Quantum origin of the oxygen storage capability of ceria

N.V. Skorodumova, Sergei Simak, Bengt Lundqvist et al
PHYSICAL REVIEW LETTERS. Vol. 89, p. 166601-
Journal article
2002

Transport in robust fullerene-tube heterostructure transistor

Per Hyldgaard, Bengt Lundqvist
MATERIALS SCIENCE & ENGINEERING C-BIOMIMETIC AND SUPRAMOLECULAR SYSTEMS. Vol. 19, p. 445-
Journal article
2001

Density-functional calculation of van der Waals forces for free-electron-like surfaces

Erika Hult, Per Hyldgaard, J. Rossmeisl et al
PHYSICAL REVIEW B. Vol. 64 (19)
Journal article
2001

First-principles study of surface and subsurface O structures at Al(111)

A. Kiejna, Bengt Lundqvist
PHYSICAL REVIEW B. Vol. 63 (085405)
Journal article
2001

Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles

N.V. Skorodumova, R. Ahuja, Sergei Simak et al
PHYSICAL REVIEW B. Vol. 64, p. 115108-
Journal article
2001

First-principles study of surface and subsurface O structures at Al(111) (vol B 63, art. no. 085405, 2001)

A. Kiejna, Bengt Lundqvist
PHYSICAL REVIEW B. Vol. 64, p. 049901-
Journal article
2001

First-principles density-functional study of metal-carbonitride interface adhesion: Co/TiC(001) and Co/TiN(001)

S.V. Dudiy, Bengt Lundqvist
PHYSICAL REVIEW B. Vol. 64, p. 045403-
Journal article
2001

Neglected adsorbate interactions behind diffusion prefactor anomalies on metals

Staffan Ovesson, Alexander Bogicevic, Göran Wahnström et al
PHYSICAL REVIEW B. Vol. 64, p. 125423-
Journal article
2001

Dissipative quantum dynamics in 2D: Anisotropic dissipation and selective bond breaking in surface photochemistry

Shiwu Gao, Johan Strömquist, Bengt Lundqvist
Physical Review Letters. Vol. 86, p. 1805-
Journal article
2001

Density-functional bridge between surfaces and interfaces

Bengt Lundqvist, Alexander Bogicevic, Karin M. Carling et al
Surface Science. Vol. 493, p. 253-270
Journal article
2001

Adiabatic potential-energy surface of O-2/Al(111): rare entrance-channel barriers but molecularly chemisorbed state apt for abstraction

Yashar Yourdshahyan, Behrooz Razaznejad, Bengt Lundqvist
SOLID STATE COMMUNICATIONS. Vol. 117, p. 531-
Journal article
1999

Theoretical Structure Determination of a Complex Material: κ-Al2O3

Yashar Yourdshahyan, Carlo Ruberto, Mats Halvarsson et al
Journal of the American Ceramic Society. Vol. 82 (6), p. 1365-80
Journal article
1997

First-principles calculations on the atomic and electronic structure of kappa-Al2O3

Yashar Yourdshahyan, Carlo Ruberto, Lennart Bengtsson et al
Physical Review B. Vol. 56, p. 8553-
Journal article
1996

Ballistic motion and abstraction in dimer dissociation at surfaces: Cl-2 on K

Johan Strömquist, Lars Hellberg, Bengt Herbert Kasemo et al
Surface Science. Vol. 352 (435-441), p. 7-
Journal article
1995

ELECTRON-TRANSFER PATHWAYS IN DYNAMIC PROCESSES - CL-2 ON K

Lars Hellberg, Johan Strömquist, Bengt Herbert Kasemo et al
Physical Review Letters. Vol. 74 (4742-4745), p. 4-
Journal article
1969

Spectra of interacting electrons in metals

Bengt Lundqvist
Doctoral thesis

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