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Aleksei V Ivanov

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

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Faraday Discussions|September 16, 2020
Variational calculations of excited states <i>via</i> direct optimization of the orbitals in DFTGianluca Levi, Aleksei V Ivanov, Hannes Jónsson
Journal of Chemical Theory and Computation|October 16, 2020
Variational Density Functional Calculations of Excited States via Direct OptimizationGianluca Levi, Aleksei V Ivanov, Hannes Jónsson
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 SetAleksei V Ivanov, Gianluca Levi, Elvar Ö Jónsson, et al.
The Journal of Physical Chemistry Letters|April 26, 2021
Mn Dimer Can Be Described Accurately with Density Functional Calculations When Self-Interaction Correction Is AppliedAleksei V Ivanov, Tushar K Ghosh, Elvar Ö Jónsson, et al.
Physical Review. E|January 23, 2020
Multiple minimum-energy paths and scenarios of unwinding transitions in chiral nematic liquid crystalsSemen S Tenishchev, Alexei D Kiselev, Aleksei V Ivanov, et al.
Journal of Chemical Theory and Computation|April 6, 2023
Measuring Electron Correlation: The Impact of Symmetry and Orbital TransformationsRóbert Izsák, Aleksei V Ivanov, Nick S Blunt, 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 TwistingYorick L A Schmerwitz, Aleksei V Ivanov, Elvar Ö Jónsson, et al.
The Journal of Chemical Physics|December 16, 2021
Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breakingKai Trepte, Sebastian Schwalbe, Simon Liebing, et al.
Journal of Chemical Theory and Computation|August 4, 2025
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis SetAleksei V Ivanov, Andrew Patterson, Marius Bothe, et al.
The Journal of Chemical Physics|March 7, 2024
GPAW: An open Python package for electronic structure calculationsJens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma, et al.
Pageof 1

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

Sort By:
Pageof 1
Faraday Discussions|September 16, 2020
Variational calculations of excited states <i>via</i> direct optimization of the orbitals in DFTGianluca Levi, Aleksei V Ivanov, Hannes Jónsson
Journal of Chemical Theory and Computation|October 16, 2020
Variational Density Functional Calculations of Excited States via Direct OptimizationGianluca Levi, Aleksei V Ivanov, Hannes Jónsson
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 SetAleksei V Ivanov, Gianluca Levi, Elvar Ö Jónsson, et al.
The Journal of Physical Chemistry Letters|April 26, 2021
Mn Dimer Can Be Described Accurately with Density Functional Calculations When Self-Interaction Correction Is AppliedAleksei V Ivanov, Tushar K Ghosh, Elvar Ö Jónsson, et al.
Physical Review. E|January 23, 2020
Multiple minimum-energy paths and scenarios of unwinding transitions in chiral nematic liquid crystalsSemen S Tenishchev, Alexei D Kiselev, Aleksei V Ivanov, et al.
Journal of Chemical Theory and Computation|April 6, 2023
Measuring Electron Correlation: The Impact of Symmetry and Orbital TransformationsRóbert Izsák, Aleksei V Ivanov, Nick S Blunt, 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 TwistingYorick L A Schmerwitz, Aleksei V Ivanov, Elvar Ö Jónsson, et al.
The Journal of Chemical Physics|December 16, 2021
Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breakingKai Trepte, Sebastian Schwalbe, Simon Liebing, et al.
Journal of Chemical Theory and Computation|August 4, 2025
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis SetAleksei V Ivanov, Andrew Patterson, Marius Bothe, et al.
The Journal of Chemical Physics|March 7, 2024
GPAW: An open Python package for electronic structure calculationsJens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma, et al.
Pageof 1