☰

Aleksei Ivanov - Publications

Affiliations: 
St. Petersburg State University, Russia 
Tree Info Similar researchers PubMed Report error

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Mortensen JJ, Larsen AH, Kuisma M, Ivanov AV, Taghizadeh A, Peterson A, Haldar A, Dohn AO, Schäfer C, Jónsson EÖ, Hermes ED, Nilsson FA, Kastlunger G, Levi G, Jónsson H, et al. GPAW: An open Python package for electronic structure calculations. The Journal of Chemical Physics. 160. PMID 38450733 DOI: 10.1063/5.0182685  0.7
2023 Izsák R, Ivanov AV, Blunt NS, Holzmann N, Neese F. Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations. Journal of Chemical Theory and Computation. PMID 37022051 DOI: 10.1021/acs.jctc.3c00122  0.385
2022 Schmerwitz YLA, Ivanov AV, Jónsson EÖ, Jónsson H, Levi G. Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting. The Journal of Physical Chemistry Letters. 13: 3990-3999. PMID 35481754 DOI: 10.1021/acs.jpclett.2c00741  0.762
2021 Trepte K, Schwalbe S, Liebing S, Schulze WT, Kortus J, Myneni H, Ivanov AV, Lehtola S. Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking. The Journal of Chemical Physics. 155: 224109. PMID 34911315 DOI: 10.1063/5.0071796  0.703
2021 Kirchhoff B, Ivanov A, Skúlason E, Jacob T, Fantauzzi D, Jónsson H. Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene. Journal of Chemical Theory and Computation. PMID 34550689 DOI: 10.1021/acs.jctc.1c00377  0.736
2021 Ivanov AV, Levi G, Jónsson EÖ, Jónsson H. Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane-Wave Basis Set. Journal of Chemical Theory and Computation. PMID 34227810 DOI: 10.1021/acs.jctc.1c00157  0.764
2021 Ivanov AV, Ghosh TK, Jónsson EÖ, Jónsson H. Mn Dimer Can Be Described Accurately with Density Functional Calculations When Self-Interaction Correction Is Applied. The Journal of Physical Chemistry Letters. 4240-4246. PMID 33900768 DOI: 10.1021/acs.jpclett.1c00364  0.79
2020 Levi G, Ivanov AV, Jónsson H. Variational Density Functional Calculations of Excited States via Direct Optimization. Journal of Chemical Theory and Computation. PMID 33064484 DOI: 10.1021/acs.jctc.0c00597  0.781
2020 Levi G, Ivanov AV, Jónsson H. Variational calculations of excited states direct optimization of the orbitals in DFT. Faraday Discussions. PMID 32935688 DOI: 10.1039/D0Fd00064G  0.775
2020 Ivanov AV, Dagbjartsson D, Tranchida J, Uzdin VM, Jónsson H. Efficient Optimization Method for Finding Minimum Energy Paths of Magnetic Transitions. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 32316000 DOI: 10.1088/1361-648X/Ab8B9C  0.539
2017 Ivanov A, Bessarab PF, Uzdin VM, Jónsson H. Magnetic exchange force microscopy: theoretical analysis of induced magnetization reversals. Nanoscale. PMID 28858357 DOI: 10.1039/C7Nr04036A  0.72
Show low-probability matches.