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Eric J. Sundstrom, Ph.D. - Publications

Affiliations: 
2014 Chemistry University of California, Berkeley, Berkeley, CA, United States 
Area:
Theoretical Chemistry
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14 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
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, ... ... Sundstrom EJ, 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  0.458
2015 Zuev D, Jagau TC, Bravaya KB, Epifanovsky E, Shao Y, Sundstrom E, Head-Gordon M, Krylov AI. Erratum: "Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks" [J. Chem. Phys. 141, 024102 (2014)]. The Journal of Chemical Physics. 143: 149901. PMID 26472400 DOI: 10.1063/1.4932100  0.672
2015 Small DW, Sundstrom EJ, Head-Gordon M. A simple way to test for collinearity in spin symmetry broken wave functions: general theory and application to generalized Hartree Fock. The Journal of Chemical Physics. 142: 094112. PMID 25747066 DOI: 10.1063/1.4913740  0.521
2015 Small DW, Sundstrom EJ, Head-Gordon M. Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theory. The Journal of Chemical Physics. 142: 024104. PMID 25591335 DOI: 10.1063/1.4905120  0.59
2015 Sharada SM, Stück D, Sundstrom EJ, Bell AT, Head-Gordon M. Wavefunction stability analysis without analytical electronic Hessians: application to orbital-optimised second-order Møller–Plesset theory and VV10-containing density functionals Molecular Physics. DOI: 10.1080/00268976.2015.1014442  0.57
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Sundstrom EJ, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.601
2014 Mayhall NJ, Horn PR, Sundstrom EJ, Head-Gordon M. Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules. Physical Chemistry Chemical Physics : Pccp. 16: 22694-705. PMID 25233435 DOI: 10.1039/C4Cp02818J  0.736
2014 Zuev D, Jagau TC, Bravaya KB, Epifanovsky E, Shao Y, Sundstrom E, Head-Gordon M, Krylov AI. Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks. The Journal of Chemical Physics. 141: 024102. PMID 25027994 DOI: 10.1063/1.4885056  0.748
2014 Sundstrom EJ, Head-Gordon M. Non-orthogonal configuration interaction for the calculation of multielectron excited states. The Journal of Chemical Physics. 140: 114103. PMID 24655168 DOI: 10.1063/1.4868120  0.557
2013 Horn PR, Sundstrom EJ, Baker TA, Head-Gordon M. Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: theory and applications to intermolecular interactions involving radicals. The Journal of Chemical Physics. 138: 134119. PMID 23574220 DOI: 10.1063/1.4798224  0.568
2013 Azar RJ, Horn PR, Sundstrom EJ, Head-Gordon M. Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: theory and analysis of the water dimer. The Journal of Chemical Physics. 138: 084102. PMID 23464135 DOI: 10.1063/1.4792434  0.543
2012 Sundstrom EJ, Yang X, Thoi VS, Karunadasa HI, Chang CJ, Long JR, Head-Gordon M. Computational and experimental study of the mechanism of hydrogen generation from water by a molecular molybdenum-oxo electrocatalyst. Journal of the American Chemical Society. 134: 5233-42. PMID 22356562 DOI: 10.1021/Ja210949R  0.486
2009 Thom AJ, Sundstrom EJ, Head-Gordon M. LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst. Physical Chemistry Chemical Physics : Pccp. 11: 11297-304. PMID 20024398 DOI: 10.1039/B915364K  0.509
2009 Pieniazek PA, Sundstrom EJ, Bradforth SE, Krylov AI. Degree of initial hole localization/delocalization in ionized water clusters. The Journal of Physical Chemistry. A. 113: 4423-9. PMID 19281180 DOI: 10.1021/Jp811059Z  0.582
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