Publications Paul de Boeij

37P. Romaniello and P. L. de BoeijRelativistic two-component formulation of time-dependent current-density functional theory: Application to the linear response of solids
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J. Chem. Phys. 127, 1741112007
36Eugene S. Kadantsev, Rob Klooster, Paul L. de Boeij and Tom ZieglerThe Formulation and Implementation of Analytic Energy Gradients for Periodic Density Functional Calculations with STO/NAO Bloch Basis Set
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Molecular Physics2007
35J.A. Berger, P.L. de Boeij, and R. van LeeuwenAnalysis of the Vignale-Kohn current functional in the calculation of the optical spectra of semiconductors
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Phys. Rev. B 75, 0351162007
34O. Butriy, H. Ebadi, P. L. de Boeij, R. van Leeuwen, and E. K. U. GrossMulticomponent density-functional theory for time-dependent systems
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Physical Review A 76, 0525142007
33P.L. de BoeijLinear Response Calculations for Polymers
Chapter 21 in "Time-Dependent Density Functional Theory"

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Lectures Notes in Physics vol. 706 (Springer)2006
32P.L. de BoeijSolids from Time-Dependent Current DFT
Chapter 19 in "Time-Dependent Density Functional Theory"

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Lectures Notes in Physics vol. 706 (Springer)2006
31P.L. de BoeijSolution of the Linear-Response Equations in a Basis Set
Chapter 13 in "Time-Dependent Density Functional Theory"

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Lectures Notes in Physics vol. 706 (Springer)2006
30J.A. Berger, P. Romaniello, R. van Leeuwen, and P.L. de BoeijPerformance of the Vignale-Kohn functional in the linear response of metals
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Phys. Rev. B 74, 2451172006
29P. Romaniello and P. L. de Boeij, F. Carbone and D. van der MarelOptical properties of bcc transition metals in the range 0-40 eV
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Physical Review B., 73, 0751152006
28P. Romaniello and P. L. de BoeijThe role of relativity in the optical response of gold within the time-dependent current-density-functional theory
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J.Chem.Phys. 122, 1643032005
27J.A.Berger, P.L.de Boeij, and R.van LeeuwenAnalysis of the viscoelastic coefficients in the Vignale-Kohn functional: The cases of one- and three-dimensional polyacetylene
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Phys.Rev.B 71, 1551042005
26P. Romaniello and P.L.de BoeijTime-dependent current-density-functional theory for the metallic response of solids
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Physical Review B 71 (15): 1551082005
25J. A. Berger, P. L. de Boeij, and R. van LeeuwenA physical model for the longitudinal polarizabilities of polymer chains
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THE JOURNAL OF CHEMICAL PHYSICS 123, 1749102005
24M. van Faassen, L. Jensen, J. A. Berger, P. L. de BoeijSize-scaling of the polarizability of tubular fullerenes investigated with time-dependent (current)-density-functional theory
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Chemical Physics Letters 395 (4-6): 274-2782004
23M.van Faassen and P.L.de BoeijErratum: Excitation energies for a benchmark set of molecules obtained within time-dependent current-density functional theory using the Vignale-Kohn functional
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J. Chem. Phys. 120 (24): 11967-119672004
22M.van Faassen and P.L.de BoeijExcitation energies for a benchmark set of molecules obtained within time-dependent current-density functional theory using the Vignale-Kohn functional
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J. Chem. Phys. 120, 8353-83632004
21M.van Faassen and P.L.de BoeijExcitation energies of π-conjugated oligomers within time-dependent current-density functional theory
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Journal of Chemical Physics 121 (21): 10707-107142004
20M.van Faassen, P.L.de Boeij, R.van Leeuwen, J.A.Berger, J.G.SnijdersApplication of time-dependent current-density-functional theory to nonlocal exchange-correlation effects in polymers
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J. Chem. Phys. 118, 1044-10532003
19C.M.J.Wijers, P.L.de BoeijNonlocality and Inhomogeneous Optics: the role of Quantum Induction
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J. Chem. Phys. 116, 328-3412002
18M.van Faassen, P.L.de Boeij, R.van Leeuwen, J.A.Berger, J.G.SnijdersUltra nonlocality in Time-Dependent Current-Density Functional Theory:Applications to conjugated polymers
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Phys. Rev. Lett. 88, 186401-1-42002
17F.Kootstra, P.L.de Boeij, R.van Leeuwen, J.G.SnijdersTime Dependent (Current) Density Functional Theory of Solids
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Reviews in Modern Quantum Chemistry: A celebration of the contributions of Robert Parr, Editor: K.D. Sen , World Scientific, Singapore, 1155-11852002
16P.L.de Boeij, C.M.J.WijersRole of Wave Functions in Electromagnetism: RAS from GaAs (110)
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In "Quantum Optics of Small Structures", p 159-166, Ed. D.Lenstra, T.D.Visser, K.A.H. van Leeuwen, KNAW, Amsterdam2001
15P.L.de Boeij, F.Kootstra, J.G.SnijdersRelativistic effects in the optical response of HgSe usingtime-dependent density-functional theory
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Int. J. Quantum Chem. 85, 449-4542001
14F.Kootstra, P.L.de Boeij, H.Aissa, J.G.SnijdersRelativistic Effects on the Optical Response of InSb by Time-Dependent Density Functional Theory
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J. Chem. Phys. 114, 1860-18652001
13P.L.de Boeij, F.Kootstra, J.A.Berger, R.van Leeuwen, J.G.SnijdersCurrent density functional theory for optical spectra; a polarization functional
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J. Chem. Phys. 115, 1995-19992001
12C.M.J.Wijers, P.L.de BoeijNonlocality and Discrete Cellular Methods:
Theory

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Physica B 305, 220-2322001
11F.Kootstra, P.L.de Boeij, J.G.SnijdersEfficient Real-Space Approach to Time-Dependent Density Functional Theory for the Dielectric Response of Non-Metallic Crystals
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J. Chem. Phys. 112, 6517-65312000
10P.L.de Boeij, C.M.J.WijersAb Initio Calculation of the Reflectance Anisotropy of GaAs (110): The Role of Nonlocal Polarizability and Local Fields
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Phys. Lett. A 272, 264-2702000
9F.Kootstra, P.L.de Boeij, J.G.SnijdersApplication of Time-Dependent Density Functional Theory to the Dielectric Function of various Non-Metallic Crystals
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Phys. Rev. B 62, 7071-70832000
8P.L.de Boeij, C.M.J.Wijers, E.ZoethoutAnisotropic Optical Reflection by Stepped Surfaces
J. Vac. Sci. Technol. B 14, 3080-30881996
7C.M.J.Wijers, P.L.de BoeijSSHG of Uniaxial Molecules: Phenomena near Brewster's Angle
Physica status solidi 152, 237-2481995
6C.M.J.Wijers, P.L.de Boeij, C.W.van Hasselt, Th.Rasing,The effect of linear polarisability and local fields on surface SHG
Solid State Commun. 93, 17-20 1995
5C.M.J.Wijers, R.Lantinga, P.L.de BoeijInfluence on SSHG of the orientation of uniaxial molecules on surfaces
Surf. Sci. 331-333, 1329-13341995
4H.Wormeester, D.J.Wentink, P.L.de Boeij, C.M.J.Wijers, A.van SilfhoutSurface states of the clean and oxidized Ge(001) surface studied withnormal-incidence ellipsometry
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Phys. Rev. B 47, 12663-126711993
3H.Wormeester, D.J.Wentink, P.L.de Boeij, A.van SilfhoutOptical anisotropy of Ge(001)
Thin Solid Films 233, 14-181993
2C.M.J.Wijers, G.P.M.Poppe, P.L.de Boeij, H.G.Bekker, D. J.WentinkFull microscopic treatment of the optical response of the Si(100) 2'1 surface
Thin Solid Films 233, 28-311993
1D.J.Wentink, H.Wormeester, P.L.de Boeij, C.M.J. Wijers, A.van SilfhoutOptical anisotropy of Ge(001) 2'1
Surf. Sci. 274, 270-2761992