Personal data

me

Name:
Robert van Leeuwen
Address:
Department of Physics
Survontie 9
40014 Jyväskylä
Telephone number:
(+358) 40 260 2371
E-mail:
roleeuwe@cc.jyu.fi
Family status:
Married, two daughters

Researcher at

Department of Physics
University of Jyväskylä
P.O.Box 35
40014 Survontie 9 Ylistönrinne
Jyväskylä, Finland

Education

1990:
drs. in Physics, speciality Theoretical Physics
Rijksuniversiteit Utrecht, The Netherlands
1994:
PhD Natural Sciences at the Vrije Universiteit Amsterdam, The Netherlands
Thesis: Kohn-Sham potentials in density-functional theory
Thesis advisor: prof.dr.E.J.Baerends
1995-1998
postdoctoral researcher (Marie Curie Fellow) in the group of prof.dr.U.von Barth
Department of Theoretical Physics, University of Lund, Sweden
postdoctoral researcher (Humboldt Fellow) in the group of prof.E.K.U.Gross
Department of Theoretical Physics, University of Würzburg, Germany
2000-2007
FOM Springplank researcher at Rijksuniversiteit Groningen, The Netherlands
2007 :
Senior researcher in Theoretical Physics at the University of Jyväskylä, Finland
2009 :
Full professor in theoretical physics at the University of Jyväskylä, Finland

Publications

  1. R.van Leeuwen and E.J.Baerends
    An exchange-correlation potential with correct asymptotic behavior
    Phys.Rev. A49, 2421 (1994)
  2. R.van Leeuwen and E.J.Baerends
    An analysis of nonlocal density functionals in chemical bonding
    Int.J.Quant.Chem. 52,711 (1994)
  3. R.van Leeuwen, E.van Lenthe, E.J.Baerends and J.G.Snijders
    Exact solutions of regular approximate relativistic wave equations for hydrogen-like atoms
    J.Chem.Phys. 101, 1272 (1994)
  4. O.V.Gritsenko, R.van Leeuwen and E.J.Baerends
    Analysis of electron interaction and atomic shell structure in terms of local potentials
    J.Chem.Phys. 101, 8955 (1994)
  5. E.van Lenthe, R.van Leeuwen, E.J.Baerends and J.G.Snijders
    Regular relativistic two-component Hamiltonians
    in New Challenges in Quantum Chemistry (eds.) R.Broer, P.J.C.Aerts, and P.J.Bagus, Groningen University Press (1994)
  6. R.van Leeuwen and E.J.Baerends
    Energy expressions in density functional theory using line integrals
    Phys.Rev.A51, 170 (1995)
  7. R.van Leeuwen, O.V.Gritsenko and E.J.Baerends
    Step structure in the atomic Kohn-Sham potential
    Z.Phys. D33, 229 (1995)
  8. O.V.Gritsenko, R.van Leeuwen, E.van Lenthe and E.J.Baerends
    Self-consistent approximation to the Kohn-Sham exchange potential
    Phys.Rev.A51, 1944 (1995)
  9. O.V.Gritsenko, R.van Leeuwen and E.J.Baerends
    Molecular Kohn-Sham exchange-correlation potential from correlated ab initio electron density
    Phys.Rev.A52, 1870 (1995)
  10. E.van Lenthe, R.van Leeuwen, E.J.Baerends and J.G.Snijders
    Regular relativistic two-component Hamiltonians
    Int.J.Quant.Chem.57, 281 (1996)
  11. O.V.Gritsenko, R.van Leeuwen and E.J.Baerends
    Structure of the optimized Kohn-Sham exchange potential and its gradient approximations
    Int.J.Quant.Chem.57, 17 (1996)
  12. S.J.A.van Gisbergen, V.P.Osinga, O.V.Gritsenko, R.van Leeuwen, J.G.Snijders en E.J.Baerends
    Improved density functional theory results for frequency-dependent polarizabilities, by the use of an exchange-correlation potential with correct asymptotic behaviour
    J.Chem.Phys. 105, 3142 (1996)
  13. O.V.Gritsenko, R.van Leeuwen and E.J.Baerends
    Molecular exchange-correlation Kohn-Sham potential and energy density from ab initio first- and second-order density matrices: examples for XH (X=Li,B,F)
    J.Chem.Phys. 104, 8535 (1996)
  14. O.V.Gritsenko, R.van Leeuwen and E.J.Baerends
    On the optimal mixing of the exchange energy and the electron-electron interaction part of the exchange-correlation energy
    Int.J.Quant.Chem. 30, 163 (1996)
  15. R.van Leeuwen, O.V.Gritsenko and E.J.Baerends
    Analysis and modelling of atomic and molecular Kohn-Sham potentials
    in Topics in current chemistry 180,p.107-168, (ed.) R.Nalewajski, Springer-Verlag, Berlin (1996)
  16. R.van Leeuwen
    The Sham-Schlüter equation in time-dependent density functional theory
    Phys.Rev.Lett.76, 3610 (1996)
  17. E.J.Baerends, O.V.Gritsenko and R.van Leeuwen
    The effective one-electron potential in the Kohn-Sham molecular orbital theory
    Chemical Applications of Density Functional Theory, (eds.) B.B.Laird, T.Ziegler and R.Ross, ACS Symposium Series No.269, 20 (1996)
  18. E.J.Baerends, O.V.Gritsenko and R.van Leeuwen
    Electron correlation and the structure of the exchange-correlation potential and the exchange-correlation energy density in density functional theory
    in New Methods in Quantum Theory (eds.) C.A.Tsipis, V.S.Popov, D.R.Herschbach and J.S.Avery, NATO ASI Series, (1996)
  19. O.V.Gritsenko, R.van Leeuwen and E.J.Baerends
    Direct approximation of the long- and short-range components of the exchange-correlation Kohn-Sham potential
    Int.J.Quant.Chem.61, 231 (1997)
  20. C-.O.Almbladh, U.von Barth and R.van Leeuwen
    Variational total energies from Φ- and Ψ- derivable theories
    in Proceedings of the 9th International Conference on Recent Progress in Many-Body Theories, ed. D.Neilson (World Scientific, 1998)
  21. D.G.Lappas and R.van Leeuwen
    Electron correlation effects in the double ionization of He
    J.Phys.B31, L249 (1998)
  22. R.van Leeuwen
    Causality and symmetry in time-dependent density functional theory
    Phys.Rev.Lett.80, 1280 (1998)
  23. R.van Leeuwen
    Mapping from densities to potentials in time-dependent density-functional theory
    Phys.Rev.Lett.82, 3863 (1999)
  24. C-.O.Almbladh, U.von Barth and R.van Leeuwen
    Variational total energies from Φ- and Ψ-derivable theories
    Int.J.Mod.Phys. B13, 535 (1999)
  25. N.E.Dahlen and R.van Leeuwen
    Double ionization of a two-electron system in the time-dependent extended Hartree-Fock approximation
    Phys.Rev.A64, 023405 (2001)
  26. P.L.de Boeij, F.Kootstra, J.A.Berger, R.van Leeuwen and J.G.Snijders
    Current density functional theory for optical spectra; a polarization functional
    J.Chem.Phys.115, 1995 (2001)
  27. R.van Leeuwen
    Key concepts in time-dependent density-functional theory
    Int.J.Mod.Phys.B15, 1969 (2001)
  28. M.van Faassen, P.L.de Boeij, R.van Leeuwen, J.A.Berger, J.G.Snijders
    Ultranonlocality in Time-Dependent Current-Density Functional Theory:applications to conjugated polymers
    Phys. Rev. Lett.88, 186401 (2002)
  29. F.Kootstra, P.L.de Boeij, R.van Leeuwen, J.G.Snijders
    Time Dependent (Current) Density Functional Theory of Solids
    Reviews in Modern Quantum Chemistry: A celebration of the contributions of Robert Parr, Editor: K.D. Sen , World Scientific, Singapore, 1155-1185 (2002)
  30. N.Maitra, K.Burke, H.Appel, E.K.U.Gross, R.van Leeuwen
    Ten Topical Questions in Time Dependent Density Functional Theory
    Reviews in Modern Quantum Chemistry: A celebration of the contributions of Robert Parr, Editor: K.D. Sen , World Scientific, Singapore, 1186-1225 (2002)
  31. M.van Faassen, P.L.de Boeij, R.van Leeuwen, J.A.Berger, J.G.Snijders
    Application of Time-Dependent Current-Density-Functional Theory to Nonlocal Exchange-Correlation Effects in Polymers
    J.Chem.Phys. 118, 1044 (2003)
  32. R.van Leeuwen
    Density functional approach to the many-body problem: key concepts and exact functionals
    Adv.Quant.Chem.43, 25 (2003)
  33. R.van Leeuwen
    Nonequilibrium Green Functions in Time-Dependent Current-Density-Functional Theory
    In "Progress in Nonequilibrium Green's Functions II", M.Bonitz and D.Semkat (Eds.), World Scientific, Singapore, p.427 (2003)
  34. R.van Leeuwen
    The Keldysh Formalism Applied to Time-Dependent Current-Density-Functional Theory
    In "The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State", eds. N.I.Gidopoulos and S.Wilson, Progress in Theoretical Chemistry and Physics, Vol.24, Kluwer (2003)
  35. T.Kreibich, N.I.Gidopoulos, R.van Leeuwen and E.K.U.Gross
    Towards time-dependent density-functional theory for molecules in strong laser pulses
    In "The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State", eds. N.I.Gidopoulos and S.Wilson, Progress in Theoretical Chemistry and Physics, Vol.24, Kluwer (2003)
  36. R.van Leeuwen
    First-principles approach to the electron-phonon interaction
    Phys.Rev.B69, 115110 (2004)
  37. T.Kreibich, R.van Leeuwen and E.K.U.Gross
    Time-dependent variational approach to molecules in strong laser fields
    Chem.Phys.304, 183 (2004)
  38. N.E.Dahlen, R.van Leeuwen and U.von Barth
    Variational energy functionals of the Green function tested on molecules
    Int.J.Quant.Chem.101, 512 (2005)
  39. R.van Leeuwen and N.E.Dahlen
    Conserving approximations in nonequilibrium Green function and density functional theory
    In "The Electron Liquid Model in Condensed Matter Physics", Vol. 157 of the International School of Physics "Enrico Fermi", Eds. G.F.Guiliani and G.Vignale, (2004)
  40. J.A.Berger, P.L.de Boeij and R.van Leeuwen
    Analysis of the viscoelastic coefficients in the Vignale-Kohn functional: The case of one- and three-dimensional polyacetylene
    Phys.Rev.B71, 155104 (2005)
  41. J.A.Berger, P.L.de Boeij and R.van Leeuwen
    A physical model for the longitudinal polarizabilities of polymer chains
    J.Chem.Phys.123, 174910 (2005)
  42. N.E.Dahlen and R.van Leeuwen
    Self-consistent solution of the Dyson equation for atoms and molecules within a conserving approximation
    J.Chem.Phys.122, 164102 (2005)
  43. U.von Barth, N.E.Dahlen, R.van Leeuwen, G.Stefanucci
    Conserving approximations in time-dependent density functional theory
    Phys.Rev.B72, 235109 (2005)
  44. R.van Leeuwen
    Beyond the Runge-Gross theorem
    (Chapter in a textbook "Time-dependent density functional theory" Lecture Notes in Physics Vol.706 (Springer) 2006 )
  45. R.van Leeuwen, N.E.Dahlen, G.Stefanucci, C.-O.Almbladh and U.von Barth
    An Introduction to the Keldysh Formalism and Applications to Time-Dependent Density-Functional Theory
    (Chapter in a textbook "Time-dependent density functional theory" Lecture Notes in Physics Vol.706 (Springer) 2006 )
  46. G.Stefanucci, C.-O.Almbladh, S.Kurth, E.K.U.Gross, A.Rubio, R.van Leeuwen, N.E.Dahlen and U.von Barth
    Time-Dependent transport through single molecules: nonequilibrium Greens functions and TDDFT
    (Chapter in a textbook "Time-dependent density functional theory" Lecture Notes in Physics Vol.706 (Springer) 2006 )
  47. R.van Leeuwen and E.K.U.Gross
    Multicomponent density-functional theory for time-dependent systems
    (Chapter in a textbook "Time-dependent density functional theory" Lecture Notes in Physics Vol.706 (Springer) 2006 )
  48. N.E.Dahlen, R.van Leeuwen and U.von Barth
    Variational energy functionals of the Green function and the density tested on molecules
    Phys.Rev.A73, 012511 (2006)
  49. N.E.Dahlen, A.Stan and R.van Leeuwen
    Nonequilibrium Green's Functions for excitation and transport in molecules
    J.Phys.Conf.Ser.35, 324 (2006)
  50. N.E.Dahlen, R.van Leeuwen and A.Stan
    Propagating the Kadanoff-Baym equations for atoms and molecules
    J.Phys.Conf.Ser.35, 340 (2006)
  51. A.Stan, N.E.Dahlen and R.van Leeuwen
    Fully Self-Consistent GW calculations on atoms and molecules
    Europhys. Lett.76, 298 (2006)
  52. R.van Leeuwen, N.E.Dahlen and A.Stan
    Total energies from variational functionals of the Green function and the renormalized four-point vertex
    Phys.Rev.B74, 195105 (2006)
  53. J.A.Berger, P.L.de Boeij and R.van Leeuwen
    Analysis of the Vignale-Kohn current functional in the calculation of optical spectra
    Phys.Rev.B75, 035116 (2007)
  54. J.A.Berger, P.Romaniello, R.van Leeuwen and P.L.de Boeij
    Performance of the Vignale-Kohn functional in the linear response of metals
    Phys.Rev.B74, 245117 (2006)
  55. N.E.Dahlen and R.van Leeuwen
    Solving the Kadanoff-Baym equations for inhomogeneous systems: Application to atoms and molecules
    Phys.Rev.Lett.98, 153004 (2007)
  56. K.Burke, R.van Leeuwen, N.Maitra and E.K.U.Gross
    Time-dependent density-functional theory
    Rev.Mod.Phys.(in preparation)
  57. T.Kreibich, R.van Leeuwen and E.K.U.Gross
    Multicomponent density-functional theory for electrons and nuclei
    Phys.Rev.A(submitted) cond-mat 0609697 (2006)
  58. R.van Leeuwen
    A uniqueness theorem in time-dependent one-particle density matrix functional theory and the v-representability problem
    (in preparation)
  59. M.Mundt, S.Kümmel, R.van Leeuwen and P-G.Reinhard
    Violation of the 'Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation
    Phys.Rev.A.(accepted)
  60. M.Bonitz, K.Balzer and R.van Leeuwen
    Invariance of the Kohn (sloshing) mode in a conserving theory
    cond-mat/0702633 (2007)