Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver
Parrish, Robert M, Hohenstein, Edward G, McMahon, Peter L, Martínez, Todd J
Published in Physical review letters (12.06.2019)
Published in Physical review letters (12.06.2019)
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Journal Article
Effect of Nonplanarity on Excited-State Proton Transfer and Internal Conversion in Salicylideneaniline
Pijeau, Shiela, Foster, Donneille, Hohenstein, Edward G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.06.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.06.2018)
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Journal Article
An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene−Methane, and Benzene−H2S
Sherrill, C. David, Takatani, Tait, Hohenstein, Edward G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.09.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.09.2009)
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Journal Article
Excited-State Dynamics of 2‑(2′-Hydroxyphenyl)benzothiazole: Ultrafast Proton Transfer and Internal Conversion
Pijeau, Shiela, Foster, Donneille, Hohenstein, Edward G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2017)
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Journal Article
Tensor hypercontraction. II. Least-squares renormalization
Parrish, Robert M, Hohenstein, Edward G, Martínez, Todd J, Sherrill, C David
Published in The Journal of chemical physics (14.12.2012)
Published in The Journal of chemical physics (14.12.2012)
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Journal Article
Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions
Thanthiriwatte, Kanchana S, Hohenstein, Edward G, Burns, Lori A, Sherrill, C. David
Published in Journal of chemical theory and computation (11.01.2011)
Published in Journal of chemical theory and computation (11.01.2011)
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Journal Article
Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ and ππ Excited States
Yu, Jimmy K, Bannwarth, Christoph, Liang, Ruibin, Hohenstein, Edward G, Martínez, Todd J
Published in Journal of the American Chemical Society (09.12.2020)
Published in Journal of the American Chemical Society (09.12.2020)
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Journal Article
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning
Rana, Bhaskar, Hohenstein, Edward G., Martínez, Todd J.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.01.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.01.2024)
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Journal Article
Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions
Hohenstein, Edward G, Parrish, Robert M, Sherrill, C David, Martínez, Todd J
Published in The Journal of chemical physics (14.12.2012)
Published in The Journal of chemical physics (14.12.2012)
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Journal Article
Rank reduced coupled cluster theory. I. Ground state energies and wavefunctions
Parrish, Robert M, Zhao, Yao, Hohenstein, Edward G, Martínez, Todd J
Published in The Journal of chemical physics (28.04.2019)
Published in The Journal of chemical physics (28.04.2019)
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