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List of works by Jesse J Lutz

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

scientific article published on 01 January 2008

Electronic structure of the S1 state in methylcobalamin: insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations

scientific article published on 19 January 2013

Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene

scientific article published in April 2008

Geometries and adiabatic excitation energies of the low-lying valence states of CNC, C2N, N3and NCO studied with the electron-attached and ionized equation-of-motion coupled-cluster methodologies

scientific article published on 6 July 2011

Predictive coupled-cluster isomer orderings for some SinCm (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks ⬇️

scientific article published on 01 July 2016

Reactions between cold methyl halide molecules and alkali-metal atoms

scientific article published on 01 January 2014

Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules.

scientific article

Single-reference coupled cluster theory for multi-reference problems.

scientific article

Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone

article

Valence and charge-transfer optical properties for some SinCm (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy

scientific article published on 01 May 2018

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