Results 21 to 30 of about 1,209,873 (342)
Correlations in excited states of local Hamiltonians [PDF]
, 2011 Physical properties of the ground and excited states of a $k$-local Hamiltonian are largely determined by the $k$-particle reduced density matrices ($k$-RDMs), or simply the $k$-matrix for fermionic systems---they are at least enough for the calculation ...
A. J. Coleman +6 more
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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 +2 more
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An Insight into the Excitation States of Small Molecular Semiconductor Y6
Molecules, 2020 Y6 is a new type of non-fullerene acceptor, which has led to power conversion efficiencies of single-junction polymer solar cells over 17% when combined with a careful choice of polymeric donors. However, the excited state characteristics of Y6, which is
Xianshao Zou +7 more
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Temperature-Dependent Dual Fluorescence from Small Organic Molecules
Organic Materials, 2022 The temperature-dependent dual fluorescence from a single component of small organic molecules (SOMs) is very promising for the ratiometric fluorescence sensing of temperature. However, the SOM-based fluorophores typically only show one fluorescence band.
Min Wang, Run-Ze Wang, Cui-Hua Zhao
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Numerical Simulations of Oscillating Soliton Stars: Excited States in Spherical Symmetry and Ground State Evolutions in 3D [PDF]
, 2008 Excited state soliton stars are studied numerically for the first time. The stability of spherically symmetric S-branch excited state oscillatons under radial perturbations is investigated using a 1D code. We find that these stars are inherently unstable
Gregory Daues +4 more
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Excited-state Wigner crystals [PDF]
The Journal of Chemical Physics, 2017 Wigner crystals (WCs) are electronic phases peculiar to low-density systems, particularly in the uniform electron gas. Since its introduction in the early twentieth century, this model has remained essential to many aspects of electronic structure theory and condensed-matter physics.
Rogers, Fergus, Loos, Pierre-Francois
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Molecules, 2023 In this review, we have attempted to briefly summarize the influence of an external electric field on an assembly of tautomeric molecules and to what experimentally observable effects this interaction can lead to.
Ivan Angelov +2 more
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Entropy, chaos and excited-state quantum phase transitions in the Dicke model [PDF]
, 2016 We study non-equilibrium processes in an isolated quantum system ---the Dicke model--- focusing on the role played by the transition from integrability to chaos and the presence of excited-state quantum phase transitions.
Lóbez, C. M., Relaño, A.
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Hyperridge of triply excited states [PDF]
Physical Review A, 1988 We present a theory for the definition and the reliable calculation of correlated wave functions of a special class of triply excited states and for their rigorous geometrical analysis. This class is named the three-electron ionization ladder (THEIL) and refers to the simultaneous excitation of three electrons in valence states near threshold ...
Νικολαΐδης, Κλεάνθης A. +3 more
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Some applications of excited-state-excited-state transition densities [PDF]
Physical Review A, 1975 We derive an approximation for transition moments between excited states consistent with the approximations and assumptions normally used to obtain transition moments betwen the ground and excited states in the random-phase approximation and its higher-order approximations. We apply the result to the calculation of the photoionization cross sections of
Yeager, D. L. +2 more
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