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R. Ruger

20152018
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Fingerprint Dive into the research topics where R. Ruger is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 9 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Ultraviolet spectroscopy Chemical Compounds
Excited states Chemical Compounds
dichroism Physics & Astronomy
excitation Physics & Astronomy
Discrete Fourier transforms Chemical Compounds
approximation Physics & Astronomy

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Research Output 2015 2018

  • 5 Article
  • 1 PhD Thesis - Research VU, graduation VU

Approximations in Density Functional Based Excited State Calculations

Rüger, R., 2018, 115 p.

Research output: PhD ThesisPhD Thesis - Research VU, graduation VUAcademic

Open Access
File

Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism

Teodoro, T. Q., Koenis, M. A. J., Rüger, R., Galembeck, S. E., Buma, W. J., Nicu, V. P. & Visscher, L., 13 Dec 2018, In : Journal of Physical Chemistry A. 122, 49, p. 9435-9445 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

dichroism
Density functional theory
density functional theory
Vibrational spectra
electric dipoles

Correction to Efficient Calculation of Electronic Absorption Spectra by Means of Intensity-Selected Time-Dependent Density Functional Tight Binding

Ruger, R., van Lenthe, E., Lu, Y., Frenzel, J., Heine, T. & Visscher, L., 11 Jul 2017, In : Journal of Chemical Theory and Computation. 13, 7, p. 3424-3425 2 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Tight-binding approximations to time-dependent density functional theory: A fast approach for the calculation of electronically excited states

Ruger, R., van Lenthe, E., Heine, T. & Visscher, L., 9 May 2016, In : Journal of Chemical Physics. 144, 18, 12 p., 184103.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Excited states
Density functional theory
density functional theory
Discrete Fourier transforms
approximation

Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding

Ruger, R., Niehaus, T., van Lenthe, E., Heine, T. & Visscher, L., 8 Nov 2016, In : Journal of Chemical Physics. 145, p. 1-13 13 p., 184102.

Research output: Contribution to JournalArticleAcademicpeer-review

Ultraviolet spectroscopy
Density functional theory
spectroscopy
Wave functions
density functional theory