Susi Lehtola, Ph.D.

Affiliations: 
University of Helsinki, Helsingfors, Finland 
Area:
electronic structure theory
Website:
http://www.helsinki.fi/~jzlehtol/
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"Susi Lehtola"
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Publications

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Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801
Lehtola S, Dimitrova M, Fliegl H, et al. (2021) Correction to "Benchmarking Magnetizabilities with Recent Density Functionals". Journal of Chemical Theory and Computation
Bilalbegović G, Maksimović A, Valencic LA, et al. (2021) Sulfur Molecules in Space by X-rays: A Computational Study. Acs Earth & Space Chemistry. 5: 436-448
Jinger RK, Fliegl H, Bast R, et al. (2021) Spatial Contributions to Nuclear Magnetic Shieldings. The Journal of Physical Chemistry. A. 125: 1778-1786
Lehtola S, Dimitrova M, Fliegl H, et al. (2021) Benchmarking Magnetizabilities with Recent Density Functionals. Journal of Chemical Theory and Computation. 17: 1457-1468
Lehtola S, Marques MAL. (2021) Meta-Local Density Functionals: A New Rung on Jacob's Ladder. Journal of Chemical Theory and Computation. 17: 943-948
Schwalbe S, Fiedler L, Kraus J, et al. (2020) PyFLOSIC: Python-based Fermi-Löwdin orbital self-interaction correction. The Journal of Chemical Physics. 153: 084104
Sun Q, Zhang X, Banerjee S, et al. (2020) Recent developments in the PySCF program package. The Journal of Chemical Physics. 153: 024109
Smith DGA, Burns LA, Simmonett AC, et al. (2020) Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of Chemical Physics. 152: 184108
Lehtola S, Visscher L, Engel E. (2020) Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets. The Journal of Chemical Physics. 152: 144105
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