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Taras Petrenko

Showing results (1-10 of 23) with videos related to

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The Journal of Chemical Physics|February 10, 2018
Refined analysis of the X̃ <sup>2</sup>A<sub>2</sub>←X̃ <sup>1</sup>A<sub>1</sub> photoelectron spectrum of furanTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|December 24, 2015
Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximationTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|December 27, 2012
Efficient and automatic calculation of optical band shapes and resonance Raman spectra for larger molecules within the independent mode displaced harmonic oscillator modelTaras Petrenko, Frank Neese
The Journal of Chemical Physics|April 8, 2017
A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problemsTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|November 6, 2007
Analysis and prediction of absorption band shapes, fluorescence band shapes, resonance Raman intensities, and excitation profiles using the time-dependent theory of electronic spectroscopyTaras Petrenko, Frank Neese
Journal of Chemical Theory and Computation|September 23, 2017
A General Approach for Calculating Strongly Anharmonic Vibronic Spectra with a High Density of States: The X̃<sup>2</sup>B<sub>1</sub> ← X̃<sup>1</sup>A<sub>1</sub> Photoelectron Spectrum of DifluoromethaneTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|March 23, 2020
Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S<sub>1</sub>← S<sub>0</sub> vibronic absorption spectrum of formaldehydeTaras Petrenko, Guntram Rauhut
Journal of Computational Chemistry|October 15, 2021
Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation spaceTina Mathea, Taras Petrenko, Guntram Rauhut
The Journal of Physical Chemistry. A|January 22, 2021
VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of AlleneTina Mathea, Taras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|February 10, 2011
Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelizationTaras Petrenko, Simone Kossmann, Frank Neese
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|February 10, 2018
Refined analysis of the X̃ <sup>2</sup>A<sub>2</sub>←X̃ <sup>1</sup>A<sub>1</sub> photoelectron spectrum of furanTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|December 24, 2015
Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximationTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|December 27, 2012
Efficient and automatic calculation of optical band shapes and resonance Raman spectra for larger molecules within the independent mode displaced harmonic oscillator modelTaras Petrenko, Frank Neese
The Journal of Chemical Physics|April 8, 2017
A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problemsTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|November 6, 2007
Analysis and prediction of absorption band shapes, fluorescence band shapes, resonance Raman intensities, and excitation profiles using the time-dependent theory of electronic spectroscopyTaras Petrenko, Frank Neese
Journal of Chemical Theory and Computation|September 23, 2017
A General Approach for Calculating Strongly Anharmonic Vibronic Spectra with a High Density of States: The X̃<sup>2</sup>B<sub>1</sub> ← X̃<sup>1</sup>A<sub>1</sub> Photoelectron Spectrum of DifluoromethaneTaras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|March 23, 2020
Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S<sub>1</sub>← S<sub>0</sub> vibronic absorption spectrum of formaldehydeTaras Petrenko, Guntram Rauhut
Journal of Computational Chemistry|October 15, 2021
Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation spaceTina Mathea, Taras Petrenko, Guntram Rauhut
The Journal of Physical Chemistry. A|January 22, 2021
VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of AlleneTina Mathea, Taras Petrenko, Guntram Rauhut
The Journal of Chemical Physics|February 10, 2011
Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelizationTaras Petrenko, Simone Kossmann, Frank Neese
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