Aleksei V Ivanov

8PUBLICATIONS
48CO-AUTHORS
Theoretical quantum chemistryOptimisationStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterElectrometallurgyMolecular imaging (incl. electron microscopy and neutron diffraction)
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Publications (8)

|Aug 04, 2025
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set.

Aleksei V Ivanov, Andrew Patterson, Marius Bothe

|Mar 07, 2024
GPAW: An open Python package for electronic structure calculations.

Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma

|Apr 06, 2023
Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations.

Róbert Izsák, Aleksei V Ivanov, Nick S Blunt

|Apr 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

|Apr 26, 2021
Mn Dimer Can Be Described Accurately with Density Functional Calculations When Self-Interaction Correction Is Applied.

Aleksei V Ivanov, Tushar K Ghosh, Elvar Ö Jónsson

|Oct 16, 2020
Variational Density Functional Calculations of Excited States via Direct Optimization.

Gianluca Levi, Aleksei V Ivanov, Hannes Jónsson

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