Jesse J. Lutz
Sandia National Laboratories(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Semiconductor materials and devices, Catalysis and Oxidation Reactions
Most-Cited Works
- → Recent developments in the general atomic and molecular electronic structure system(2020)1,398 cited
- → Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone(2009)130 cited
- → Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies(2011)80 cited
- → Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations(2013)58 cited
- → Detailed chemical kinetic modeling of JP‐10 (exo‐tetrahydrodicyclopentadiene) high‐temperature oxidation: Exploring the role of biradical species in initial decomposition steps(2012)48 cited
- → Deviations from Born-Oppenheimer mass scaling in spectroscopy and ultracold molecular physics(2016)35 cited
- → Single-reference coupled cluster theory for multi-reference problems(2017)32 cited
- → Extrapolating potential energy surfaces by scaling electron correlation: Isomerization of bicyclobutane to butadiene(2008)25 cited
- → A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects(2008)20 cited
- → Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules(2018)15 cited