Results 21 to 30 of about 1,164,525 (314)
Partial scaling transform of multiqubit states as a criterion of separability [PDF]
, 2005 The partial scaling transform of the density matrix for multiqubit states is introduced to detect entanglement of the quantum state. The transform contains partial transposition as a special case. The scaling transform corresponds to partial time scaling
Man'ko, V. I. +10 more
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DENSITY OF STATES METHOD AT FINITE ISOSPIN DENSITY [PDF]
Modern Physics Letters A, 2004 The density of states method is applied for lattice QCD at a finite isospin density. The advantage of this method is that one can easily obtain results for various values of parameters (quark mass, coupling constant and the number of flavors). We compare results for the chiral condensate and the quark number density with those from the R-algorithm and
openaire +3 more sources
A theoretical investigation of the interaction of Immucillin-A with N-doped TiO2 anatase nanoparticles: Applications to nanobiosensors and nanocarriers [PDF]
Nanomedicine Research Journal, 2017 Objective(s): Adsorption of IMMUCILLIN-A (BCX4430) molecule on the pristine and N-doped TiO2 anatase nanoparticles were studied using the density functional theory (DFT) calculations.
Amirali Abbasi, Jaber Jahanbin Sardroodi
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Density of states of disordered systems [PDF]
Physical Review B, 1994 Density of states calculations for the tight-binding model with diagonal disorder are presented. An instanton approach is used to calculate the tails of the spectrum, including all prefactors. It is shown that a Hartree resummation improves the predictions. Furthermore, an effective-medium approximation is used to calculate the density of states in the
van Rossum, Mark +3 more
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A Note on the Analyticity of Density of States [PDF]
Journal of Statistical Physics, 2012 We consider the $d$-dimensional Anderson model, and we prove the density of states is locally analytic if the single site potential distribution is locally analytic and the disorder is large. We employ the random walk expansion of resolvents and a simple complex function theory trick.
Kaminaga, M., Krishna, M., Nakamura, S.
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Orbital: The Electronic Journal of Chemistry, 2020 The results of a full potential linear muffin-tin orbital (FP-LMTO) study on the electronic properties of ionic insulator potassium bromide (KBr) under pressure is presented.
Y. Ramola, Nirmala Louis, A. Amalraj
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Performance of common density functionals for excited states of tetraphenyldibenzoperiflanthene
, 2023 Time-dependent density functional theory is the method of choice to efficiently calculate excitation spectra with the functional and basis set choice allowing to compromise between accuracy and computational cost.
Tim, Schrader +3 more
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First Principle Calculations for Silver Halides AgBr, AgCl, and AgF
ARO-The Scientific Journal of Koya University, 2021 Density functional theory (DFT) coupled with ) method are carried out to calculate the electronic structures of AgX (X; Br, Cl, and F). The effect of hybridizing between 4d orbital of Ag element and the p orbitals of the X in the valence band plays a ...
Akram H. Taha
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On the density of states of germanium telluride [PDF]
Journal of Applied Physics, 2012 Germanium telluride (GeTe) is one of the most studied phase change materials. Surprisingly, only little is known about the density of states (DOS) in its band gap. In this paper, the DOS of amorphous GeTe films is investigated both experimentally and theoretically. We propose a model for this DOS as well as estimates of some of the transport parameters
Longeaud, Christophe +5 more
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Density Functional Tight Binding Calculations for Probing Electronic-Excited States of Large Systems
, 2022 This review focuses on the application of Density Functional Tight Binding (DFTB) to electronic-excited states, which has attracted significant attention for extending the computationally efficient approach to the time domain.
Bryan, Wong +2 more
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