Thomas Pedersen (Former)
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- 2008
-
Mark
Cholesky decomposition-based multiconfiguration second-order perturbation theory (CD-CASPT2): Application to the spin-state energetics of Co-III(diiminato)(NPh)
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- Contribution to journal › Article
- 2007
-
Mark
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
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- Contribution to journal › Article
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Mark
Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions
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- Contribution to journal › Article
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Mark
Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes
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- Contribution to journal › Article
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Mark
Unbiased auxiliary basis sets for accurate two-electron integral approximations
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- Contribution to journal › Article
- 2006
-
Mark
Carbon nanorings: A challenge to theoretical chemistry
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- Contribution to journal › Article
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Mark
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex
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- Contribution to journal › Article
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Mark
Fast noniterative orbital localization for large molecules
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- Contribution to journal › Article
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Mark
Origin invariant approaches to the calculation of two-photon circular dichroism
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- Contribution to journal › Article
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Mark
Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide
(
- Contribution to journal › Article