Susi Lehtola

6.8k total citations · 1 hit paper
60 papers, 2.1k citations indexed

About

Susi Lehtola is a scholar working on Atomic and Molecular Physics, and Optics, Materials Chemistry and Spectroscopy. According to data from OpenAlex, Susi Lehtola has authored 60 papers receiving a total of 2.1k indexed citations (citations by other indexed papers that have themselves been cited), including 43 papers in Atomic and Molecular Physics, and Optics, 24 papers in Materials Chemistry and 11 papers in Spectroscopy. Recurrent topics in Susi Lehtola's work include Advanced Chemical Physics Studies (38 papers), Machine Learning in Materials Science (18 papers) and Spectroscopy and Quantum Chemical Studies (11 papers). Susi Lehtola is often cited by papers focused on Advanced Chemical Physics Studies (38 papers), Machine Learning in Materials Science (18 papers) and Spectroscopy and Quantum Chemical Studies (11 papers). Susi Lehtola collaborates with scholars based in Finland, United States and Germany. Susi Lehtola's co-authors include Miguel A. L. Marques, Hannes Jónsson, Micael J. T. Oliveira, Mikko Hakala, K. Hämäläinen, Martin Head‐Gordon, Dage Sundholm, Maria Dimitrova, Arto Sakko and Heike Fliegl and has published in prestigious journals such as Proceedings of the National Academy of Sciences, The Journal of Chemical Physics and The Journal of Physical Chemistry B.

In The Last Decade

Susi Lehtola

59 papers receiving 2.0k citations

Hit Papers

Recent developments in li... 2017 2026 2020 2023 2017 100 200 300 400 500
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Recent developments in libxc — A comprehensive library of functionals for density functional theory
    2017 531 citations Susi Lehtola et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Susi Lehtola Finland 24 1.2k 772 345 250 240 60 2.1k
A. Eugene DePrince United States 26 1.5k 1.2× 551 0.7× 365 1.1× 265 1.1× 172 0.7× 76 2.2k
Ka Un Lao United States 24 1.0k 0.9× 949 1.2× 254 0.7× 347 1.4× 202 0.8× 61 2.0k
Fernando Nogueira Portugal 19 1.4k 1.2× 752 1.0× 267 0.8× 341 1.4× 199 0.8× 38 2.5k
Qiming Sun United States 21 1.9k 1.5× 881 1.1× 450 1.3× 242 1.0× 146 0.6× 38 2.8k
Daniel S. Lambrecht United States 25 1.4k 1.1× 753 1.0× 488 1.4× 410 1.6× 406 1.7× 41 2.7k
Jérôme Cuny France 20 728 0.6× 604 0.8× 332 1.0× 154 0.6× 177 0.7× 57 1.6k
Ryan M. Olson United States 19 971 0.8× 764 1.0× 276 0.8× 249 1.0× 441 1.8× 30 1.9k
Filip Pawłowski United States 26 1.1k 0.9× 348 0.5× 499 1.4× 299 1.2× 169 0.7× 60 1.7k
Justin M. Turney United States 15 944 0.8× 522 0.7× 437 1.3× 450 1.8× 336 1.4× 69 1.8k

Countries citing papers authored by Susi Lehtola

Since Specialization
Citations

This map shows the geographic impact of Susi Lehtola's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Susi Lehtola with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Susi Lehtola more than expected).

Fields of papers citing papers by Susi Lehtola

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Susi Lehtola. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Susi Lehtola. The network helps show where Susi Lehtola may publish in the future.

Co-authorship network of co-authors of Susi Lehtola

This figure shows the co-authorship network connecting the top 25 collaborators of Susi Lehtola. A scholar is included among the top collaborators of Susi Lehtola based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Susi Lehtola. Susi Lehtola is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Kobus, Jacek & Susi Lehtola. (2025). Review of the finite difference Hartree–Fock method for atoms and diatomic molecules, and its implementation in the x2dhf program. Computer Physics Communications. 311. 109576–109576.
2.
Johansson, Mikael P., et al.. (2025). Density functional benchmark for quadruple hydrogen bonds. Physical Chemistry Chemical Physics. 27(17). 8706–8718. 1 indexed citations
3.
Nordlund, K., Susi Lehtola, & G. Hobler. (2025). Repulsive interatomic potentials calculated at three levels of theory. Physical review. A. 111(3). 1 indexed citations
4.
Lehtola, Susi & Martin Head‐Gordon. (2025). Coupled-cluster pairing models for radicals with strong correlations. Molecular Physics. 123(19-20). 2 indexed citations
5.
Pedersen, Thomas Bondo, Susi Lehtola, Ignacio Fdez. Galván, & Roland Lindh. (2023). The versatility of the Cholesky decomposition in electronic structure theory. Wiley Interdisciplinary Reviews Computational Molecular Science. 14(1). 16 indexed citations
6.
Lehtola, Susi. (2023). Meta-GGA Density Functional Calculations on Atoms with Spherically Symmetric Densities in the Finite Element Formalism. Journal of Chemical Theory and Computation. 19(9). 2502–2517. 20 indexed citations
7.
Lehtola, Susi. (2023). Accuracy of a Recent Regularized Nuclear Potential. Journal of Chemical Theory and Computation. 19(13). 4033–4039. 3 indexed citations
8.
Ema, I., et al.. (2022). Accurate Hellmann–Feynman forces from density functional calculations with augmented Gaussian basis sets. The Journal of Chemical Physics. 158(1). 14104–14104. 10 indexed citations
9.
Fliegl, Heike, et al.. (2021). Spatial Contributions to Nuclear Magnetic Shieldings. The Journal of Physical Chemistry A. 125(8). 1778–1786. 22 indexed citations
10.
Lehtola, Susi. (2020). Polarized universal hydrogenic Gaussian basis sets from one-electron ions. arXiv (Cornell University). 1 indexed citations
11.
Levine, Daniel S., Diptarka Hait, Norm M. Tubman, et al.. (2020). CASSCF with Extremely Large Active Spaces Using the Adaptive Sampling Configuration Interaction Method. Journal of Chemical Theory and Computation. 16(4). 2340–2354. 94 indexed citations
12.
Lehtola, Susi. (2020). Accurate reproduction of strongly repulsive interatomic potentials. Physical review. A. 101(3). 16 indexed citations
13.
Shahi, Chandra, Biswajit Santra, Sebastian Schwalbe, et al.. (2019). Stretched or noded orbital densities and self-interaction correction in density functional theory. The Journal of Chemical Physics. 150(17). 174102–174102. 42 indexed citations
14.
Lehtola, Susi, John Parkhill, & Martin Head‐Gordon. (2018). Orbital optimisation in the perfect pairing hierarchy: applications to full-valence calculations on linear polyacenes. eScholarship (California Digital Library). 22 indexed citations
15.
Jónsson, Elvar Ö., Susi Lehtola, & Hannes Jónsson. (2015). Towards an Optimal Gradient-dependent Energy Functional of the PZ-SIC Form. Procedia Computer Science. 51. 1858–1864. 13 indexed citations
16.
Niskanen, Johannes, Christoph J. Sahle, Susi Lehtola, et al.. (2015). Protonation Dynamics and Hydrogen Bonding in Aqueous Sulfuric Acid. The Journal of Physical Chemistry B. 119(35). 11732–11739. 25 indexed citations
17.
Lehtola, Susi & Hannes Jónsson. (2014). Pipek–Mezey Orbital Localization Using Various Partial Charge Estimates. Journal of Chemical Theory and Computation. 10(2). 642–649. 84 indexed citations
18.
Lehtola, Susi, Mikko Hakala, Arto Sakko, & K. Hämäläinen. (2012). ERKALE—A flexible program package for X‐ray properties of atoms and molecules. Journal of Computational Chemistry. 33(18). 1572–1585. 69 indexed citations
19.
Lehtola, Susi, Mikko Hakala, Juha Vaara, & K. Hämäläinen. (2011). Calculation of isotropic Compton profiles with Gaussian basis sets. Physical Chemistry Chemical Physics. 13(13). 5630–5630. 16 indexed citations
20.
Lehtola, Susi, et al.. (1982). The measurement of mixing efficiency of continuous mixers. Chemical Engineering Science. 37(2). 185–191. 2 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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