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- 2020
-
Mark
Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems
(
- Contribution to journal › Article
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Mark
Modern quantum chemistry with [Open]Molcas
(
- Contribution to journal › Article
- 2011
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Mark
The CCSD(T) Model With Cholesky Decomposition of Orbital Energy Denominators
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- Contribution to journal › Article
- 2009
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Mark
On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution.
(
- Contribution to journal › Article
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Mark
Systematic truncation of the virtual space in multiconfigurational perturbation theory
(
- Contribution to journal › Article
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Mark
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
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- Contribution to journal › Article
- 2008
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Mark
Analytic derivatives for the Cholesky representation of the two-electron integrals.
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- Contribution to journal › Article
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Mark
Accurate ab initio density fitting for multiconfigurational self-consistent field methods.
(
- Contribution to journal › Article
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Mark
Theoretical pressure and dielectric second virial coefficients of CO-Ar
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- Contribution to journal › Article
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Mark
Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene
(
- Contribution to journal › Article