Thomas Bondo Pedersen
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Molecular spectroscopy and chirality, Laser-Matter Interactions and Applications, Advanced NMR Techniques and Applications
Most-Cited Works
- → MOLCAS 7: The Next Generation(2009)1,541 cited
- → The Dalton quantum chemistry program system(2013)1,464 cited
- → Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table(2015)1,433 cited
- → Modern quantum chemistry with [Open]Molcas(2020)486 cited
- → Reduced scaling in electronic structure calculations using Cholesky decompositions(2003)479 cited
- → Unbiased auxiliary basis sets for accurate two-electron integral approximations(2007)384 cited
- → Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato)(NPh)(2008)372 cited
- → Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals(2007)344 cited
- → Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency(2009)249 cited
- → Origin invariant calculation of optical rotation without recourse to London orbitals(2004)186 cited