Results 11 to 20 of about 5,066,237 (304)
Local Density Approximation for Excited States
Physical Review XThe ground state of an homogeneous electron gas is a paradigmatic state that has been used to model and predict the electronic structure of matter at equilibrium for nearly a century.
Tim Gould, Stefano Pittalis
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Charge transport and excited states in organic semiconductors [PDF]
, 2011 PhDOrganic semiconductors are of increasing technological interest in applications such as light emitting diodes, field effect transistors, and photovoltaic devices In order to reveal the basic principles behind these organic semiconductors, charge ...
Song, Jingyao
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A model electronic Hamiltonian to describe low-lying d–d and metal-to-ligand charge-transfer excited states of [Fe(bpy)3]^2+ [PDF]
, 2020 A simple practical method to compute both d–d and metal‐to‐ligand charge‐transfer (MLCT) excited states of iron(II) polypyridyl complexes is proposed for use in simulation studies. Specifically, a model electronic Hamiltonian developed previously for d–d
Iuchi, Satoru +3 more
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Prospects for Neutron Reactions on Excited States in High-Density Plasmas
Frontiers in Physics, 2022 With the reactions of high flux neutrons, such as in a DT plasma, there is a prospect of seeing new kinds of neutron-nucleus reactions for the first time.
Ian J. Thompson
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Two algorithms for excited-states quantum solvers: Theory and application to EOM-UCCSD [PDF]
, 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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Excited states of holographic superconductors with hyperscaling violation
Nuclear Physics B, 2022 We employ the numerical and analytical methods to study the effects of the hyperscaling violation on the ground and excited states of holographic superconductors for d=2,z=2.
Shuhang Zhang +3 more
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Frontiers in Astronomy and Space Sciences, 2021 Functionalizing deprotonated polycyclic aromatic hydrocarbon (PAH) anion derivatives gives rise to electronically excited states in the resulting anions.
Taylor J. Santaloci +2 more
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Excited states of holographic superconductors with backreaction
European Physical Journal C: Particles and Fields, 2021 In this paper we investigate the model of the anti-de Sitter gravity coupled to a Maxwell field and a free, complex scalar field, and construct a fully back-reacted holographic model of superconductor with excited states.
Yong-Qiang Wang +3 more
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Exchange Spin Coupling in Optically Excited States [PDF]
, 2022 In optically excited states in molecules and materials, coupling between local electron spins plays an important role for their photoemission properties and is interesting for potential applications in quantum information processing.
Torben, Steenbock +4 more
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Visualizing and Characterizing Excited States from Time-Dependent Density Functional Theory [PDF]
, 2023 Time-dependent density functional theory (TD-DFT) is the most widely-used electronic structure method for excited states, due to a favorable combination of low cost and (in many contexts) semi-quantitative accuracy.
John, Herbert
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