Research Output per year
Personal profile
Keywords
- 114 Physical sciences
- Inelastic X-ray scattering
- 116 Chemical sciences
- Quantum chemistry
International and National Collaboration
Publications and projects within past five years.
Publications 2010 2019
- 15 Article
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient
Lehtola, S., Mar 2019, In : Journal of Chemical Theory and Computation. 15, 3, p. 1593-1604 12 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open Access
File
Fully numerical electronic structure calculations on diatomic molecules in weak to strong magnetic fields
Lehtola, S., Dimitrova, M. & Sundholm, D., 30 Mar 2019, In : Molecular Physics. 13 p., 1597989.Research output: Contribution to journal › Article › Scientific › peer-review
Stretched or noded orbital densities and self-interaction correction in density functional theory
Shahi, C., Bhattarai, P., Wagle, K., Santra, B., Schwalbe, S., Hahn, T., Kortus, J., Jackson, K. A., Peralta, J. E., Trepte, K., Lehtola, S., Nepal, N. K., Myneni, H., Neupane, B., Adhikari, S., Ruzsinszky, A., Yamamoto, Y., Baruah, T., Zope, R. R. & Perdew, J. P., 7 May 2019, In : Journal of Chemical Physics. 150, 17, 8 p., 174102.Research output: Contribution to journal › Article › Scientific › peer-review
Open Access
File
Recent developments in LIBXC — A comprehensive library of functionals for density functional theory
Lehtola, S., Steigemann, C., Oliveira, M. J. T. & Marques, M. A. L., 2018, In : SoftwareX. 7, p. 1-5 5 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open Access
File
Automatic Algorithms for Completeness-Optimization of Gaussian Basis Sets
Lehtola, S., 15 Feb 2015, In : Journal of Computational Chemistry. 36, 5, p. 335-347 13 p.Research output: Contribution to journal › Article › Scientific › peer-review
Projects 2011 2011
- 1 Active
Materials- and Nanophysics Researcher Community (MATENA)
Ahlgren, T., Aitola, K., Arstila, K., Avchachov, K., Björkas, C., Chrobak, D., Costelle, L., Djurabekova, F., Fernandez Martinez, M., Galambosi, S., Hakala, M., Harjunmaa, A. N., Heinola, K., Hirvelä, J. H., Holmström, E. K., Huotari, S., Hämäläinen, K., Ikonen, T., Jalkanen, P., Jansson, V., Juurinen, I., Keinonen, J., Keyriläinen, J., Kisko, K., Koskelo, O., Krasheninnikov, A., Kuronen, A., Lasa Esquisabel, A., Laukkanen, J. K., Lehtinen, O. J., Lehtola, S., Leppänen, K., Mattila, A., Meinander, N. K., Mizohata, K., Nordlund, K., Nygård, K., Pakarinen, O. H., Palonen, V., Parviainen, S., Peura, M., Pirkkalainen, K., Pirojenko, A., Pohjonen, A., Polvi, J., Porra, L., Pusa, P., Pylkkänen, T., Rauhala, E., Ruotsalainen, K., Ruzibaev, A., Räisänen, J., Sajavaara, T. P., Sakko, A., Serimaa, R., Soininen, A., Suhonen, H., Timko, H., Tolvanen, A., Torkkeli, M., Tuboltsev, V., Ullah, M., Väyrynen, S. & Vörtler, K.
22/02/2011 → …
Project: Research Evaluation 2011
Prizes
Activities 2018 2018
- 2 Academic visit to other institution
ETH Zurich
Susi Samuli Lehtola (Visiting researcher)1 Sep 2018 → 30 Nov 2018
Activity: Visiting an external institution types › Academic visit to other institution
University of Oslo
Susi Samuli Lehtola (Visiting researcher)5 Jun 2018 → 31 Jul 2018
Activity: Visiting an external institution types › Academic visit to other institution