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Xing Zhang - Publications

Affiliations: 
Princeton University, Princeton, NJ 
Area:
Electronic structure theory
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8 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
2023 Di Felice R, Mayes ML, Richard RM, Williams-Young DB, Chan GK, de Jong WA, Govind N, Head-Gordon M, Hermes MR, Kowalski K, Li X, Lischka H, Mueller KT, Mutlu E, Niklasson AMN, ... ... Zhang X, et al. A Perspective on Sustainable Computational Chemistry Software Development and Integration. Journal of Chemical Theory and Computation. PMID 37769271 DOI: 10.1021/acs.jctc.3c00419  0.614
2021 Zhang X, Herbert JM. Nonadiabatic dynamics with spin-flip vs linear-response time-dependent density functional theory: A case study for the protonated Schiff base CHNH. The Journal of Chemical Physics. 155: 124111. PMID 34598550 DOI: 10.1063/5.0062757  0.479
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Zhang X, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.654
2016 Herbert JM, Zhang X, Morrison AF, Liu J. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems. Accounts of Chemical Research. PMID 27100899 DOI: 10.1021/Acs.Accounts.6B00047  0.545
2015 Zhang X, Herbert JM. Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces. The Journal of Chemical Physics. 143: 234107. PMID 26696046 DOI: 10.1063/1.4937571  0.529
2015 Zhang X, Herbert JM. Analytic derivative couplings in time-dependent density functional theory: Quadratic response theory versus pseudo-wavefunction approach. The Journal of Chemical Physics. 142: 064109. PMID 25681889 DOI: 10.1063/1.4907376  0.514
2014 Zhang X, Herbert JM. Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory. The Journal of Chemical Physics. 141: 064104. PMID 25134548 DOI: 10.1063/1.4891984  0.52
2014 Zhang X, Herbert JM. Excited-state deactivation pathways in uracil versus hydrated uracil: solvatochromatic shift in the (1)nπ* state is the key. The Journal of Physical Chemistry. B. 118: 7806-17. PMID 24428679 DOI: 10.1021/Jp412092F  0.504
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