Analytical Energy Gradient for State-Averaged Orbital-Optimized Variational Quantum Eigensolvers and Its Application to a Photochemical Reaction.

Omiya K, Nakagawa YO, Koh S, Mizukami W, Gao Q, Kobayashi T

Open source

DOI
10.1021/acs.jctc.1c00877
Published
2022 Feb 8
Container
Journal of chemical theory and computation
Publisher
Not recorded
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.1c00877,
  title = {Analytical Energy Gradient for State-Averaged Orbital-Optimized Variational Quantum Eigensolvers and Its Application to a Photochemical Reaction.},
  author = {Omiya K and Nakagawa YO and Koh S and Mizukami W and Gao Q and Kobayashi T},
  year = {2022},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.1c00877},
  url = {https://doi.org/10.1021/acs.jctc.1c00877}
}

RIS

TY  - JOUR
TI  - Analytical Energy Gradient for State-Averaged Orbital-Optimized Variational Quantum Eigensolvers and Its Application to a Photochemical Reaction.
AU  - Omiya K
AU  - Nakagawa YO
AU  - Koh S
AU  - Mizukami W
AU  - Gao Q
AU  - Kobayashi T
PY  - 2022
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.1c00877
UR  - https://doi.org/10.1021/acs.jctc.1c00877
ER  - 

APA

K, O., YO, N., S, K., W, M., Q, G., & T, K. (2022). Analytical Energy Gradient for State-Averaged Orbital-Optimized Variational Quantum Eigensolvers and Its Application to a Photochemical Reaction.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.1c00877

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