Results 1 to 10 of about 4,795,650 (214)

Modular flow of excited states [PDF]

Journal of High Energy Physics, 2021
We develop new techniques for studying the modular and the relative modular flows of general excited states. We show that the class of states obtained by acting on the vacuum (or any cyclic and separating state) with invertible operators from the algebra
Nima Lashkari, Hong Liu, Srivatsan Rajagopal   +2 more
doaj   +2 more sources

Variational Quantum Computation of Excited States [PDF]

Quantum, 2019
The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates.
Oscar Higgott, Daochen Wang, Stephen Brierley   +2 more
doaj   +3 more sources

Excitation Number: Characterizing Multiply Excited States

Journal of Chemical Theory and Computation, 2017
How many electrons are excited in an electronic transition? In this Letter, we introduce the excitation number η to answer this question when the initial and final states are each modeled by a single-determinant wave function. We show that calculated η values lie close to positive integers, leading to unambiguous assignments of the number of excited ...
Giuseppe M. J. Barca, Andrew T. B. Gilbert, Peter M. W. Gill   +2 more
openaire   +4 more sources

Electronic excited states in deep variational Monte Carlo [PDF]

Nature Communications, 2022
Obtaining accurate ground and low-lying excited states of electronic systems is crucial in a multitude of important applications. One ab initio method for solving the Schrödinger equation that scales favorably for large systems is variational quantum ...
M. Entwistle, Zeno Schatzle, P. A. Erdman, Jan Hermann, Frank Noé   +4 more
semanticscholar   +1 more source

Orbital Optimized Density Functional Theory for Electronic Excited States. [PDF]

Journal of Physical Chemistry Letters, 2021
Density functional theory (DFT) based modeling of electronic excited states is of importance for investigation of the photophysical/photochemical properties and spectroscopic characterization of large systems.
D. Hait, M. Head‐Gordon
semanticscholar   +1 more source

Observation of a resonant structure in e+e− → ωη and another in e+e− → ωπ0 at center-of-mass energies between 2.00 and 3.08 GeV

Physics Letters B, 2021
Born cross sections for the processes e+e−→ωη and e+e−→ωπ0 have been determined for center-of-mass energies between 2.00 and 3.08 GeV with the BESIII detector at the BEPCII collider.
M. Ablikim, M.N. Achasov, P. Adlarson, S. Ahmed, M. Albrecht, A. Amoroso, Q. An, Y. Bai, O. Bakina, R. Baldini Ferroli, I. Balossino, Y. Ban, K. Begzsuren, J.V. Bennett, N. Berger, M. Bertani, D. Bettoni, F. Bianchi, J. Biernat, J. Bloms, A. Bortone, I. Boyko, R.A. Briere, H. Cai, X. Cai, A. Calcaterra, G.F. Cao, N. Cao, S.A. Cetin, J.F. Chang, W.L. Chang, G. Chelkov, D.Y. Chen, G. Chen, H.S. Chen, M.L. Chen, S.J. Chen, X.R. Chen, Y.B. Chen, W. Cheng, G. Cibinetto, F. Cossio, X.F. Cui, H.L. Dai, J.P. Dai, X.C. Dai, A. Dbeyssi, R.B. de Boer, D. Dedovich, Z.Y. Deng, A. Denig, I. Denysenko, M. Destefanis, F. De Mori, Y. Ding, C. Dong, J. Dong, L.Y. Dong, M.Y. Dong, S.X. Du, J. Fang, S.S. Fang, Y. Fang, R. Farinelli, L. Fava, F. Feldbauer, G. Felici, C.Q. Feng, M. Fritsch, C.D. Fu, Y. Fu, X.L. Gao, Y. Gao, Y. Gao, Y.G. Gao, I. Garzia, E.M. Gersabeck, A. Gilman, K. Goetzen, L. Gong, W.X. Gong, W. Gradl, M. Greco, L.M. Gu, M.H. Gu, S. Gu, Y.T. Gu, C.Y. Guan, A.Q. Guo, L.B. Guo, R.P. Guo, Y.P. Guo, Y.P. Guo, A. Guskov, S. Han, T.T. Han, T.Z. Han, X.Q. Hao, F.A. Harris, K.L. He, F.H. Heinsius, T. Held, Y.K. Heng, M. Himmelreich, T. Holtmann, Y.R. Hou, Z.L. Hou, H.M. Hu, J.F. Hu, T. Hu, Y. Hu, G.S. Huang, L.Q. Huang, X.T. Huang, Z. Huang, N. Huesken, T. Hussain, W. Ikegami Andersson, W. Imoehl, M. Irshad, S. Jaeger, S. Janchiv, Q. Ji, Q.P. Ji, X.B. Ji, X.L. Ji, H.B. Jiang, X.S. Jiang, X.Y. Jiang, J.B. Jiao, Z. Jiao, S. Jin, Y. Jin, T. Johansson, N. Kalantar-Nayestanaki, X.S. Kang, R. Kappert, M. Kavatsyuk, B.C. Ke, I.K. Keshk, A. Khoukaz, P. Kiese, R. Kiuchi, R. Kliemt, L. Koch, O.B. Kolcu, B. Kopf, M. Kuemmel, M. Kuessner, A. Kupsc, M.G. Kurth, W. Kühn, J.J. Lane, J.S. Lange, P. Larin, A. Lavania, L. Lavezzi, H. Leithoff, M. Lellmann, T. Lenz, C. Li, C.H. Li, Cheng Li, D.M. Li, F. Li, G. Li, H.B. Li, H.J. Li, J.L. Li, J.Q. Li, Ke Li, L.K. Li, Lei Li, P.L. Li, P.R. Li, S.Y. Li, W.D. Li, W.G. Li, X.H. Li, X.L. Li, Z.B. Li, Z.Y. Li, H. Liang, H. Liang, Y.F. Liang, Y.T. Liang, L.Z. Liao, J. Libby, C.X. Lin, B. Liu, B.J. Liu, C.X. Liu, D. Liu, D.Y. Liu, F.H. Liu, Fang Liu, Feng Liu, H.B. Liu, H.M. Liu, Huanhuan Liu, Huihui Liu, J.B. Liu, J.Y. Liu, K. Liu, K.Y. Liu, Ke Liu, L. Liu, Q. Liu, S.B. Liu, Shuai Liu, T. Liu, X. Liu, Y.B. Liu, Z.A. Liu, Z.Q. Liu, Y.F. Long, X.C. Lou, F.X. Lu, H.J. Lu, J.D. Lu, J.G. Lu, X.L. Lu, Y. Lu, Y.P. Lu, C.L. Luo, M.X. Luo, P.W. Luo, T. Luo, X.L. Luo, S. Lusso, X.R. Lyu, F.C. Ma, H.L. Ma, L.L. Ma, M.M. Ma, Q.M. Ma, R.Q. Ma, R.T. Ma, X.N. Ma, X.X. Ma, X.Y. Ma, Y.M. Ma, F.E. Maas, M. Maggiora, S. Maldaner, S. Malde, Q.A. Malik, A. Mangoni, Y.J. Mao, Z.P. Mao, S. Marcello, Z.X. Meng, J.G. Messchendorp, G. Mezzadri, T.J. Min, R.E. Mitchell, X.H. Mo, Y.J. Mo, N.Yu. Muchnoi, H. Muramatsu, S. Nakhoul, Y. Nefedov, F. Nerling, I.B. Nikolaev, Z. Ning, S. Nisar, S.L. Olsen, Q. Ouyang, S. Pacetti, X. Pan, Y. Pan, A. Pathak, P. Patteri, M. Pelizaeus, H.P. Peng, K. Peters, J. Pettersson, J.L. Ping, R.G. Ping, A. Pitka, R. Poling, V. Prasad, H. Qi, H.R. Qi, M. Qi, T.Y. Qi, S. Qian, W.-B. Qian, Z. Qian, C.F. Qiao, L.Q. Qin, X.P. Qin, X.S. Qin, Z.H. Qin, J.F. Qiu, S.Q. Qu, K.H. Rashid, K. Ravindran, C.F. Redmer, A. Rivetti, V. Rodin, M. Rolo, G. Rong, Ch. Rosner, M. Rump, A. Sarantsev, M. Savrié, Y. Schelhaas, C. Schnier, K. Schoenning, D.C. Shan, W. Shan, X.Y. Shan, M. Shao, C.P. Shen, P.X. Shen, X.Y. Shen, H.C. Shi, R.S. Shi, X. Shi, X.D. Shi, J.J. Song, Q.Q. Song, W.M. Song, Y.X. Song, S. Sosio, S. Spataro, F.F. Sui, G.X. Sun, J.F. Sun, L. Sun, S.S. Sun, T. Sun, W.Y. Sun, Y.J. Sun, Y.K. Sun, Y.Z. Sun, Z.T. Sun, Y.H. Tan, Y.X. Tan, C.J. Tang, G.Y. Tang, J. Tang, V. Thoren, B. Tsednee, I. Uman, B. Wang, B.L. Wang, C.W. Wang, D.Y. Wang, H.P. Wang, K. Wang, L.L. Wang, M. Wang, M.Z. Wang, Meng Wang, W.H. Wang, W.P. Wang, X. Wang, X.F. Wang, X.L. Wang, Y. Wang, Y. Wang, Y.D. Wang, Y.F. Wang, Y.Q. Wang, Z. Wang, Z.Y. Wang, Ziyi Wang, Zongyuan Wang, T. Weber, D.H. Wei, P. Weidenkaff, F. Weidner, S.P. Wen, D.J. White, U. Wiedner, G. Wilkinson, M. Wolke, L. Wollenberg, J.F. Wu, L.H. Wu, L.J. Wu, X. Wu, Z. Wu, L. Xia, H. Xiao, S.Y. Xiao, Y.J. Xiao, Z.J. Xiao, X.H. Xie, Y.G. Xie, Y.H. Xie, T.Y. Xing, X.A. Xiong, G.F. Xu, J.J. Xu, Q.J. Xu, W. Xu, X.P. Xu, L. Yan, L. Yan, W.B. Yan, W.C. Yan, Xu Yan, H.J. Yang, H.X. Yang, L. Yang, R.X. Yang, S.L. Yang, Y.H. Yang, Y.X. Yang, Yifan Yang, Zhi Yang, M. Ye, M.H. Ye, J.H. Yin, Z.Y. You, B.X. Yu, C.X. Yu, G. Yu, J.S. Yu, T. Yu, C.Z. Yuan, W. Yuan, X.Q. Yuan, Y. Yuan, Z.Y. Yuan, C.X. Yue, A. Yuncu, A.A. Zafar, Y. Zeng, B.X. Zhang, Guangyi Zhang, H.H. Zhang, H.Y. Zhang, J.L. Zhang, J.Q. Zhang, J.W. Zhang, J.Y. Zhang, J.Z. Zhang, Jianyu Zhang, Jiawei Zhang, L. Zhang, Lei Zhang, S. Zhang, S.F. Zhang, T.J. Zhang, X.Y. Zhang, Y. Zhang, Y.H. Zhang, Y.T. Zhang, Yan Zhang, Yao Zhang, Yi Zhang, Z.H. Zhang, Z.Y. Zhang, G. Zhao, J. Zhao, J.Y. Zhao, J.Z. Zhao, Lei Zhao, Ling Zhao, M.G. Zhao, Q. Zhao, S.J. Zhao, Y.B. Zhao, Y.X. Zhao, Z.G. Zhao, A. Zhemchugov, B. Zheng, J.P. Zheng, Y. Zheng, Y.H. Zheng, B. Zhong, C. Zhong, L.P. Zhou, Q. Zhou, X. Zhou, X.K. Zhou, X.R. Zhou, A.N. Zhu, J. Zhu, K. Zhu, K.J. Zhu, S.H. Zhu, W.J. Zhu, X.L. Zhu, Y.C. Zhu, Z.A. Zhu, B.S. Zou, J.H. Zou   +491 more
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Photoactive Metal-to-Ligand Charge Transfer Excited States in 3d6 Complexes with Cr0, MnI, FeII, and CoIII

Journal of the American Chemical Society, 2023
Many coordination complexes and organometallic compounds with the 4d6 and 5d6 valence electron configurations have outstanding photophysical and photochemical properties, which stem from metal-to-ligand charge transfer (MLCT) excited states.
N. Sinha, O. Wenger
semanticscholar   +1 more source

Delayed fluorescence from inverted singlet and triplet excited states

Nature, 2022
Hund’s multiplicity rule states that a higher spin state has a lower energy for a given electronic configuration1. Rephrasing this rule for molecular excited states predicts a positive energy gap between spin-singlet and spin-triplet excited states, as ...
Naoya Aizawa, Yong‐Jin Pu, Yu Harabuchi, Atsuko Nihonyanagi, R. Ibuka, Hiroyuki Inuzuka, Barun Dhara, Y. Koyama, K. Nakayama, Satoshi Maeda, F. Araoka, Daigo Miyajima   +11 more
semanticscholar   +1 more source

Machine Learning for Electronically Excited States of Molecules [PDF]

Chemical Reviews, 2020
Electronically excited states of molecules are at the heart of photochemistry, photophysics, as well as photobiology and also play a role in material science. Their theoretical description requires highly accurate quantum chemical calculations, which are
Julia Westermayr, P. Marquetand
semanticscholar   +1 more source

Holographic superfluid with excited states

Physics Letters B, 2023
We construct a novel family of solutions of the holographic superfluid model with the excited states in the probe limit. We observe that the higher excited state or larger superfluid velocity will make the scalar hair more difficult to be developed, and ...
Dong Wang, Qiyuan Pan, Chuyu Lai, Jiliang Jing   +3 more
doaj   +1 more source