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ResearchZernike (ZIAM)

Refereed academic publications of 2001

Theoretical Chemistry
  1. Dahlen, N.E. & Leeuwen, R.v. Double ionization of a two-electron system in the time- dependent extended Hartree-Fock approximation. Physical Review A 6402 (2) art-023405 (2001)

  2. de Boeij, P.L., Kootstra, F., Berger, J.A., Leeuwen, R.v. & Snijders, J.G. Current density functional theory for optical spectra: A polarization functional. Journal of Chemical Physics 115 (5) 1995-1999 (2001)

  3. de Boeij, P.L., Kootstra, F. & Snijders, J.G. Relativistic effects in the optical response of HgSe by time- dependent density functionals theory. International Journal of Quantum Chemistry 85 (4-5) 449-454 (2001)

  4. Grozema, F.C., Telesca, R., Jonkman, H.T., Siebbeles, L.D.A. & Snijders, J.G. Excited state polarizabilities of conjugated molecules calculated using time dependent density functional theory. Journal of Chemical Physics 115 (21) 10014-10021 (2001)

  5. Hozoi, L., de Vries, A.H. & Broer, R. X-ray spectroscopy at the MnK edge in LaMnO3: An ab initio study. Physical Review B 6416 (16) art-165104 (2001)

  6. Kongsted, J., Osted, A., Jensen, L., Astrand, P.O. & Mikkelsen, K.V. Frequency-dependent polarizability of boron nitride nanotubes: A theoretical study. Journal of Physical Chemistry B 105 (42) 10243-10248 (2001)

  7. Kootstra, F., de Boeij, P.L., Aissa, H. & Snijders, J.G. Relativistic effects on the optical response of InSb by time- dependent density-functional theory. Journal of Chemical Physics 114 (4) 1860-1865 (2001)

  8. la Cour Jansen, T., Snijders, J.G. & Duppen, K. Interaction induced effects in the nonlinear Raman response of liquid CS2: A finite field nonequilibrium molecular dynamics approach. Journal of Chemical Physics 114 (24) 10910-10921 (2001)

  9. Leeuwen, R.v. Key concepts in time-dependent density-functional theory. International Journal of Modern Physics B 15 (14) 1969-2023 (2001)

  10. Puranik, M., Umapathy, S., Snijders, J.G. & Chandrasekhar, J. Structure of the triplet excited state of bromanil from time- resolved resonance Raman spectra and simulation. Journal of Chemical Physics 115 (13) 6106-6114 (2001)

  11. Puranik, M., Chandrasekhar, J., Snijders, J.G. & Umapathy, S. Time-resolved resonance Raman and density functional studies on the ground state and short-lived intermediates of tetrabromo-p- benzoquinone. Journal of Physical Chemistry A 105 (46) 10562-10569 (2001)

  12. Swart, M., van Duijnen, P.T. & Snijders, J.G. A charge analysis derived from an atomic multipole expansion. Journal of Computational Chemistry 22 (1) 79-88 (2001)

  13. Velde, G.t., Bickelhaupt, F.M., Baerends, E.J., Fonseca Guerra, C., van Gisbergen, S.J.A., Snijders, J.G. & Ziegler, T. Chemistry with ADF. Journal of Computational Chemistry 22 (9) 931-967 (2001)

  14. Wijers, C.M.J. & de Boeij, P.L. Nonlocality and discrete cellular methods in optics. Physica B 305 (3-4) 220-232 (2001)

Last modified:22 October 2012 2.29 p.m.