Research output per year
Research output per year
Personal profile
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Dive into the research topics where Per-Åke Malmqvist is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Modern quantum chemistry with [Open]Molcas
Aquilante, F., Autschbach, J., Baiardi, A., Battaglia, S., Borin, V. A., Chibotaru, L. F., Conti, I., De Vico, L., Delcey, M., Fdez Galván, I., Ferré, N., Freitag, L., Garavelli, M., Gong, X., Knecht, S., Larsson, E. D., Lindh, R., Lundberg, M., Malmqvist, P. Å., Nenov, A., & 19 others, 2020, In: The Journal of chemical physics. 152, 21, 214117.Research output: Contribution to journal › Article › peer-review
Open Access -
Non-radiative decay and fragmentation in water molecules after 1a1-14a1 excitation and core ionization studied by electron-energy-resolved electron-ion coincidence spectroscopy
Sankari, A., Stråhlman, C., Sankari, R., Partanen, L., Laksman, J., Kettunen, J. A., Galván, I. F., Lindh, R., Malmqvist, P. Å. & Sorensen, S. L., 2020 Feb 21, In: Journal of Chemical Physics. 152, 7, 074302.Research output: Contribution to journal › Article › peer-review
File50 Downloads (Pure) -
OpenMolcas: From Source Code to Insight
Fdez. Galván, I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., Chibotaru, L. F., Creutzberg, J., Dattani, N., Delcey, M. G., Dong, S. S., Dreuw, A., Freitag, L., Frutos, L. M., Gagliardi, L., Gendron, F., & 43 others, 2019 Jan 1, In: Journal of Chemical Theory and Computation. 15, 11, p. 5925-5964Research output: Contribution to journal › Review article › peer-review
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Influence of the choice of projection manifolds in the CASPT2 implementation
Yanai, T., Kurashige, Y., Saitow, M., Chalupský, J., Lindh, R. & Malmqvist, P. Å., 2017 Sept 17, In: Molecular Physics. 115, 17-18, p. 2077-2085Research output: Contribution to journal › Article › peer-review
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Multiconfigurational Quantum Chemistry
Roos, B. O., Lindh, R., Malmqvist, P., Veryazov, V. & Widmark, P. O., 2016 Aug 15, Wiley-Blackwell. 224 p.Research output: Book/Report › Book › Research › peer-review
Activities
- 1 Supervision of PhD students
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New approaches to large-scale electron structure calculations
Per-Åke Malmqvist (First/primary/lead supervisor) & Valera Veryazov (Second supervisor)
2007 Oct 5Activity: Examination and supervision › Supervision of PhD students