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Faraday Discussions
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September 16, 2020
Variational calculations of excited states <i>via</i> direct optimization of the orbitals in DFT
Gianluca Levi, Aleksei V Ivanov, Hannes Jónsson
Journal of Chemical Theory and Computation
|
October 16, 2020
Variational Density Functional Calculations of Excited States via Direct Optimization
Gianluca Levi, Aleksei V Ivanov, Hannes Jónsson
Journal of Chemical Theory and Computation
|
June 7, 2023
Calculations of Excited Electronic States by Converging on Saddle Points Using Generalized Mode Following
Yorick L A Schmerwitz, Gianluca Levi, Hannes Jónsson
Journal of Chemical Theory and Computation
|
March 16, 2026
Freeze-and-Release Direct Optimization Method for Variational Calculations of Excited Electronic States
Yorick L A Schmerwitz, Elli Selenius, Gianluca Levi
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2019
On the interplay of solvent and conformational effects in simulated excited-state dynamics of a copper phenanthroline photosensitizer
Gianluca Levi, Elisa Biasin, Asmus O Dohn, et al.
Journal of Chemical Theory and Computation
|
July 6, 2021
Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane-Wave Basis Set
Aleksei V Ivanov, Gianluca Levi, Elvar Ö Jónsson, et al.
The Journal of Chemical Physics
|
January 28, 2025
Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution
Benedikt O Birgisson, Asmus Ougaard Dohn, Hannes Jónsson, et al.
Journal of Chemical Theory and Computation
|
May 2, 2024
Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States
Elli Selenius, Alec Elías Sigurdarson, Yorick L A Schmerwitz, et al.
Journal of Chemical Theory and Computation
|
January 6, 2025
Correction to "Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States"
Elli Selenius, Alec Elías Sigurdarson, Yorick L A Schmerwitz, et al.
The Journal of Physical Chemistry Letters
|
April 28, 2022
Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting
Yorick L A Schmerwitz, Aleksei V Ivanov, Elvar Ö Jónsson, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
Faraday Discussions
|
September 16, 2020
Variational calculations of excited states <i>via</i> direct optimization of the orbitals in DFT
Gianluca Levi, Aleksei V Ivanov, Hannes Jónsson
Journal of Chemical Theory and Computation
|
October 16, 2020
Variational Density Functional Calculations of Excited States via Direct Optimization
Gianluca Levi, Aleksei V Ivanov, Hannes Jónsson
Journal of Chemical Theory and Computation
|
June 7, 2023
Calculations of Excited Electronic States by Converging on Saddle Points Using Generalized Mode Following
Yorick L A Schmerwitz, Gianluca Levi, Hannes Jónsson
Journal of Chemical Theory and Computation
|
March 16, 2026
Freeze-and-Release Direct Optimization Method for Variational Calculations of Excited Electronic States
Yorick L A Schmerwitz, Elli Selenius, Gianluca Levi
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2019
On the interplay of solvent and conformational effects in simulated excited-state dynamics of a copper phenanthroline photosensitizer
Gianluca Levi, Elisa Biasin, Asmus O Dohn, et al.
Journal of Chemical Theory and Computation
|
July 6, 2021
Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane-Wave Basis Set
Aleksei V Ivanov, Gianluca Levi, Elvar Ö Jónsson, et al.
The Journal of Chemical Physics
|
January 28, 2025
Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution
Benedikt O Birgisson, Asmus Ougaard Dohn, Hannes Jónsson, et al.
Journal of Chemical Theory and Computation
|
May 2, 2024
Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States
Elli Selenius, Alec Elías Sigurdarson, Yorick L A Schmerwitz, et al.
Journal of Chemical Theory and Computation
|
January 6, 2025
Correction to "Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States"
Elli Selenius, Alec Elías Sigurdarson, Yorick L A Schmerwitz, et al.
The Journal of Physical Chemistry Letters
|
April 28, 2022
Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting
Yorick L A Schmerwitz, Aleksei V Ivanov, Elvar Ö Jónsson, et al.
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of 3