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- 2019
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Mark
OpenMolcas : From Source Code to Insight
(
- Contribution to journal › Scientific review
- 2015
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Mark
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
2015) In Journal of Computational Chemistry(
- Contribution to journal › Article
- 2009
-
Mark
Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry
(
- Contribution to journal › Article
-
Mark
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
(
- Contribution to journal › Article
-
Mark
Systematic truncation of the virtual space in multiconfigurational perturbation theory
(
- Contribution to journal › Article