Results 11 to 20 of about 4,862,998 (353)
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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Science Advances, 2021 Thermal equilibration between singlet and triplet excited states achieves high-performance pure organic light-emitting diodes. In any complex molecular system, electronic excited states with different spin multiplicities can be described via a simple ...
Naoya Aizawa +2 more
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Excited Kinks as Quantum States
European Physical Journal C: Particles and Fields, 2021 At one loop, quantum kinks are described by a sum of quantum harmonic oscillator Hamiltonians, and so their spectra are known exactly. We find the first correction beyond one loop to the quantum states corresponding to kinks with an excited bound or ...
Jarah Evslin, Hengyuan Guo
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Density Functional Theory of Highly Excited States of Coulomb Systems
Computation, 2021 The density functional theory proposed earlier for excited states of Coulomb systems is discussed. The localized Hartree–Fock (LHF) and the Krieger, Li, and Iafrate (KLI) methods combined with correlation are generalized for excited states.
Ágnes Nagy
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Thermalization of holographic excited states
Journal of High Energy Physics, 2022 We propose a real time holographic framework to study thermalization processes of a family of QFT excited states. The construction builds on Skenderis-van Rees’s holographic duals to QFT Schwinger-Keldysh complex-time ordered paths.
Pedro Jorge Martínez, Guillermo A Silva
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Symmetry resolved entanglement entropy of excited states in a CFT [PDF]
Journal of Statistical Mechanics: Theory and Experiment, 2020 We report a throughout analysis of the entanglement entropies related to different symmetry sectors in the low-lying primary excited states of a conformal field theory (CFT) with an internal U(1) symmetry.
L. Capizzi, P. Ruggiero, P. Calabrese
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Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States [PDF]
, 2020 We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a non-perturbative description of cavity-induced effects in ground and
Tor S. Haugland +4 more
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The role of Duschinsky rotation in intersystem crossing: A case study of uracil [PDF]
Journal of the Serbian Chemical Society, 2011 The intersystem crossing rate for the transition between the lowest excited singlet and triplet electronic states of uracil was studied by means of ab initio methods.
Etinski Mihajlo
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Variational Density Functional Calculations of Excited States via Direct Optimization. [PDF]
Journal of Chemical Theory and Computation, 2020 The development of variational density functional theory approaches to excited electronic states is impeded by limitations of the commonly used self-consistent field (SCF) procedure. A method based on a direct optimization approach as well as the maximum
G. Levi, A. Ivanov, H. Jónsson
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, 2020 iClick reactions between Au(I) acetylides PPh3Au–CCR, where R = nitrophenyl (PhNO2), phenyl (Ph), thiophene (Th), bithiophene (biTh), and dimethyl aniline (PhNMe2), and Au(I)–azide PPh3AuN3 provide digold complexes of the general formula R-1,5-bis ...
Charles J. Zeman +11 more
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