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Jesse J. Lutz, Ph.D. - Publications

Affiliations: 
2011 Chemistry Michigan State University, East Lansing, MI 
Area:
coupled-cluster theory
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19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Lutz JJ, Byrd JN, Lotrich VF, Jensen DS, Zádor J, Hubbard JA. A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy. Physical Chemistry Chemical Physics : Pccp. 24: 9634-9647. PMID 35404371 DOI: 10.1039/d1cp05268c  0.426
2020 Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, ... ... Lutz JJ, et al. Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102. PMID 32321259 DOI: 10.1063/5.0005188  0.664
2019 Lutz JJ, Burggraf LW. The Lowest-Energy Isomer of C2Si2H4 Is a Bridged Ring: Reinterpretation of the Spectroscopic Data Based on DFT and Coupled-Cluster Calculations Inorganics. 7: 51. DOI: 10.3390/INORGANICS7040051  0.698
2018 Lutz JJ, Duan XF, Ranasinghe DS, Jin Y, Margraf JT, Perera A, Burggraf LW, Bartlett RJ. Valence and charge-transfer optical properties for some SiC (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy. The Journal of Chemical Physics. 148: 174309. PMID 29739206 DOI: 10.1063/1.5022701  0.725
2018 Lutz JJ, Nooijen M, Perera A, Bartlett RJ. Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules. The Journal of Chemical Physics. 148: 164102. PMID 29716199 DOI: 10.1063/1.5025170  0.639
2018 Lutz JJ, Duan XF, Burggraf LW. Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence Physical Review B. 97. DOI: 10.1103/Physrevb.97.115108  0.721
2017 Margraf JT, Perera A, Lutz JJ, Bartlett RJ. Single-reference coupled cluster theory for multi-reference problems. The Journal of Chemical Physics. 147: 184101. PMID 29141413 DOI: 10.1063/1.5003128  0.626
2016 Byrd JN, Lutz JJ, Jin Y, Ranasinghe DS, Montgomery JA, Perera A, Duan XF, Burggraf LW, Sanders BA, Bartlett RJ. Predictive coupled-cluster isomer orderings for some SinCm (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks. The Journal of Chemical Physics. 145: 024312. PMID 27421410 DOI: 10.1063/1.4955196  0.744
2016 Lutz JJ, Hutson JM. Deviations from Born-Oppenheimer mass scaling in spectroscopy and ultracold molecular physics Journal of Molecular Spectroscopy. 330: 43-56. DOI: 10.1016/J.Jms.2016.08.007  0.612
2014 Lutz JJ, Hutson JM. Reactions between cold methyl halide molecules and alkali-metal atoms. The Journal of Chemical Physics. 140: 014303. PMID 24410225 DOI: 10.1063/1.4834835  0.581
2014 Lutz JJ, Piecuch P. Performance of the completely renormalized equation-of-motion coupled-cluster method in calculations of excited-state potential cuts of water Computational and Theoretical Chemistry. 1040: 20-34. DOI: 10.1016/J.Comptc.2014.05.008  0.626
2013 Kornobis K, Kumar N, Lodowski P, Jaworska M, Piecuch P, Lutz JJ, Wong BM, Kozlowski PM. Electronic structure of the S1 state in methylcobalamin: insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations. Journal of Computational Chemistry. 34: 987-1004. PMID 23335227 DOI: 10.1002/Jcc.23204  0.679
2012 Ehara M, Piecuch P, Lutz JJ, Gour JR. Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions Chemical Physics. 399: 94-110. DOI: 10.1016/J.Chemphys.2011.09.022  0.743
2012 Magoon GR, Aguilera-Iparraguirre J, Green WH, Lutz JJ, Piecuch P, Wong HW, Oluwole OO. Detailed chemical kinetic modeling of JP-10 (exo- tetrahydrodicyclopentadiene) high-temperature oxidation: Exploring the role of biradical species in initial decomposition steps International Journal of Chemical Kinetics. 44: 179-193. DOI: 10.1002/Kin.20702  0.586
2011 Hansen JA, Piecuch P, Lutz JJ, Gour JR. Geometries and adiabatic excitation energies of the low-lying valence states of CNC, C2N, N3 and NCO studied with the electron-attached and ionized equation-of-motion coupled-cluster methodologies Physica Scripta. 84. DOI: 10.1088/0031-8949/84/02/028110  0.762
2011 Fradelos G, Lutz JJ, Weso?owski TA, Piecuch P, W?och M. Embedding vs supermolecular strategies in evaluating the hydrogen-bonding-induced shifts of excitation energies Journal of Chemical Theory and Computation. 7: 1647-1666. DOI: 10.1021/Ct200101X  0.661
2009 Zhao Y, Tishchenko O, Gour JR, Li W, Lutz JJ, Piecuch P, Truhlar DG. Thermochemical kinetics for multireference systems: addition reactions of ozone. The Journal of Physical Chemistry. A. 113: 5786-99. PMID 19374412 DOI: 10.1021/Jp811054N  0.755
2008 Lutz JJ, Piecuch P. Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene. The Journal of Chemical Physics. 128: 154116. PMID 18433199 DOI: 10.1063/1.2904560  0.693
2008 Zheng J, Gour JR, Lutz JJ, W?och M, Piecuch P, Truhlar DG. 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. The Journal of Chemical Physics. 128: 044108. PMID 18247931 DOI: 10.1063/1.2825596  0.757
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