Results 81 to 90 of about 1,164,525 (314)
, 2020 Ensemble density functional theory extends the usual Kohn-Sham machinery to quantum state ensembles involving ground- and excited states. Recent work by the authors [Phys. Rev. Lett. 119, 243001 (2017); 123, 016401 (2019)] has shown that both the Hartree-
Gould, T, Pittalis, S
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Condensed Matter Physics, 2017 The electronic property of NiFe_2O_4 nanowire device is investigated through nonequilibrium Green’s functions (NEGF) in combination with density functional theory (DFT).
V. Nagarajan, R. Chandiramouli
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Density of states in spectral geometry
Commentarii Mathematici Helvetici, 1993 It is well known that the concept of integrated density of states was introduced by physicists in quantum theory of solids. In the paper under review a geometrical formalization of this notion is proposed and for the particular case of the manifolds with compact quotient some necessary and sufficient conditions for its existence are pointed out.
Adachi, T., Sunada, T.
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Electronic Density of States for Incommensurate Layers [PDF]
Multiscale Modeling & Simulation, 2017 20 pages, 9 ...
Daniel Massatt +2 more
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FEBS Letters, EarlyView.This study reveals how the mitochondrial protein Slm35 is regulated in Saccharomyces cerevisiae. The authors identify stress‐responsive DNA elements and two upstream open reading frames (uORFs) in the 5′ untranslated region of SLM35. One uORF restricts translation, and its mutation increases Slm35 protein levels and mitophagy.
Hernán Romo‐Casanueva +5 more
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Local Density Approximation for Excited States
The 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 +3 more
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Polaron density of states of AlAs/GaAs/AlAs and PbS/PbTe/PbS type quantum well
Condensed Matter Physics, 2007 Polaron energy spectrum of AlAs/GaAs/AlAs and PbS/PbTe/PbS quasi two-dimensional heterostructure as a function of the wave-vector is investigated based on the adiabatic approximation and the Ritz variational technique.
V.I.Boichuk +2 more
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Entropy Densities for Algebraic States
Journal of Functional Analysis, 1994 Algebraic (or finitely correlated) states are translation-invariant states on an infinite tensor product \(C^*\)-algebra, whose construction is rather general, including quantum Markov chains. For a strongly mixing algebraic state, the authors obtain the relation between the mean entropy and another entropy density, which means the macroscopic ...
Hiai, F., Petz, D.
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FEBS Letters, EarlyView.The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li +2 more
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The electronic structure and optical properties of Ca3(Mn1−xTix)2O7from first-principle calculations [PDF]
Journal of Advanced Dielectrics, 2019 The electronic structure and optical properties of Ca3(Mn1−xTix)2O7 (x=0, 1/8, 2/8, 3/8, 4/8) were studied by first-principle calculations within the generalized gradient approximation approaches (GGA).
Fengqi Wang +7 more
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