Results 31 to 40 of about 4,862,998 (353)
Deriving density-matrix functionals for excited states
SciPost Physics, 2023 We initiate the recently proposed $w$-ensemble one-particle reduced density matrix functional theory ($w$-RDMFT) by deriving the first functional approximations and illustrate how excitation energies can be calculated in practice.
Julia Liebert, Christian Schilling
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Inverting singlet and triplet excited states using strong light-matter coupling [PDF]
Science Advances, 2019 Molecules sandwiched in an optical cavity can form hybrid light-matter states at energies below the dark spin triplet state. In organic microcavities, hybrid light-matter states can form with energies that differ from the bare molecular excitation ...
Elad Eizner +3 more
semanticscholar +1 more source
Cluster decays of 12Be excited states
Frontiers in Physics, 2022 An experimental study of the helium-cluster decays of the 12Be excited states has been performed using the 9Li + 7Li → α + α + 8He and 9Li + 7Li → α + 6He + 6He reactions at the 9Li beam energy of 74.8 MeV.
Nikola Vukman +12 more
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, 2008 We present two new hybrid meta exchange- correlation functionals, called M06 and M06-2X. The M06 functional is parametrized including both transition metals and nonmetals, whereas the M06-2X functional is a high-nonlocality functional with double the ...
Yan Zhao, D. Truhlar
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Nature Communications, 2020 Extreme ultraviolet (EUV) lithography is currently entering high-volume manufacturing to enable the continued miniaturization of semiconductor devices. The required EUV light, at 13.5 nm wavelength, is produced in a hot and dense laser-driven tin plasma.
F. Torretti +11 more
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Elementary excitation in the Haldane state
Physical Review Letters, 1990 A localized two-spin bound state with the resultant spin S=1 is proposed as an elementary excitation of the Haldane state in Ni(${\mathrm{C}}_{2}$${\mathrm{H}}_{8}$${\mathrm{N}}_{2}$)${\mathrm{NO}}_{2}$(${\mathrm{ClO}}_{4}$) (NENP) and Ni(${\mathrm{C}}_{3}$${\mathrm{H}}_{10}$${\mathrm{N}}_{2}$)${\mathrm{NO}}_{2}$(${\mathrm{ClO}}_{4}$) (NINO). The bound
Kindo, Koichi, Date, Muneyuki
openaire +2 more sources
Two algorithms for excited-states quantum solvers: Theory and application to EOM-UCCSD
, 2023 Near-term quantum devices promise to revolutionize quantum chemistry, but simulations with the current noisy intermediate-scale quantum (NISQ) devices are not practical due to their high susceptibility to errors.
Yongbin, Kim, Anna, Krylov
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Subspace-search variational quantum eigensolver for excited states [PDF]
Physical Review Research, 2018 The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. The original work [A. Peruzzo et al.; \textit{Nat.
Ken M. Nakanishi, K. Mitarai, K. Fujii
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Primordial gravitational waves from excited states
Journal of High Energy Physics, 2022 We show that a scalar excited state with large occupation numbers during inflation leads to an enhancement of tensor modes and a characteristic pattern of order-one oscillations in the associated stochastic gravitational wave background (SGWB) sourced ...
Jacopo Fumagalli +5 more
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Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states. [PDF]
Journal of Chemical Physics, 2019 In this work, we revisited the idea of using the coupled-cluster (CC) ground state formalism to target excited states. Our main focus was targeting doubly excited states and double core hole states.
Joonho Lee +2 more
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