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Academic literature on the topic 'Free Electron Model Calculations'

Author: Grafiati
Published: 7 September 2023

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Journal articles on the topic "Free Electron Model Calculations"

1

Meron, Mati, and Brant M. Johnson. "Electron-loss calculations using the free-collision model." Physical Review A 41, no. 3 (1990): 1365–74. http://dx.doi.org/10.1103/physreva.41.1365.

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2

Li, D. H., R. A. Moore, and S. Wang. "Variational thermodynamic calculations for some liquid sd metals." Canadian Journal of Physics 64, no. 1 (1986): 75–83. http://dx.doi.org/10.1139/p86-011.

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A tractable and reliable expression for the one valence-electron eigenenergies, required in calculating the total energy of a disordered sd-type metal, is formulated in the context of the model-potential theory. With the aid of this expression, the variational calculation of the Helmholtz free energy using the hard-sphere model as a reference system, as employed in ab initio calculations of the thermodynamic properties for the nearly-free-electron-like (NFE) liquid metals, can now be extended with reasonable accuracy to those liquid sd metals in which the d-like valence-electron states below the Fermi level are not very localized. Also, the ab initio-type pseudopotential calculation of the interionic pair potentials, as carried out for the NFE-like metals in the literature, is made practical for these sd metals in their disordered states.
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3

Morrison, Michael A., Bidhan C. Saha, and Thomas L. Gibson. "Electron-N2scattering calculations with a parameter-free model polarization potential." Physical Review A 36, no. 8 (1987): 3682–98. http://dx.doi.org/10.1103/physreva.36.3682.

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4

Penn, David R. "Electron mean-free-path calculations using a model dielectric function." Physical Review B 35, no. 2 (1987): 482–86. http://dx.doi.org/10.1103/physrevb.35.482.

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5

Li, D. H., R. A. Moore, and S. Wang. "Variational thermodynamic calculations for some liquid sd metals: II." Canadian Journal of Physics 64, no. 7 (1986): 852–56. http://dx.doi.org/10.1139/p86-147.

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A procedure employing a generalized, nonlocal, model-pseudopotential theory for the calculation of the total valence-electron energy in liquid metals was presented earlier and shown to be suitable for use in a variational calculation of the Helmholtz free energy, and hence also for other properties, of sd and the early 3d transition metals. In the first part of this paper we show that the same procedure also works well for the first four of the 4d transition metals. However, the accuracy of the calculations decreases with increasing number of d-like valence electrons. This is attributed to narrow valence d bands. Thus, in the second part of this paper we revise and generalize the earlier procedure to consider explicitly the localization of some of the d-like valence electrons on the ions. The validity of the revisions is shown by calculating a number of the properties of liquid metallic Cr, Mn, and Fe.
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6

Sigaud, G. M. "Free-collision model calculations for projectile electron loss by the H2molecule." Journal of Physics B: Atomic, Molecular and Optical Physics 44, no. 22 (2011): 225201. http://dx.doi.org/10.1088/0953-4075/44/22/225201.

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7

Sigaud, G. M. "Free-collision model calculations for the electron detachment of anions by noble gases." Journal of Physics B: Atomic, Molecular and Optical Physics 41, no. 1 (2007): 015205. http://dx.doi.org/10.1088/0953-4075/41/1/015205.

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8

Perrot, F., and C. Dharma-Wardana. "Equation of state of dense Hydrogen and the plasma phase transition; A microscopic calculational model for complex fluids." International Astronomical Union Colloquium 147 (1994): 272–86. http://dx.doi.org/10.1017/s0252921100026403.

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AbstractWe discuss problems related to the electronic and ionic structure of fluid Hydrogen, for equation of state calculations in the domain where a ”plasma phase transition” (PPT) may occur. It is argued that the ionization of an electron bound to a particular nucleus proceeds through a progressive derealization involving ”hopping” electron states (i.e. cluster states). A description of the plasma containing pseudoatoms, pseudomolecules and free electrons is proposed. The PPT, if it exists, might be a mobility edge transition across a percolation threshold. It is shown how the effect of electron density, field-particle distributions and temperature on the binding energy of these pseudoatoms and pseudomolecules, can be included. Finally the abundances of these objects is determined by a minimization which allows the self-consistent optimization of ionic as well as electronic parameters contributing to the total free energy.
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9

Bose, S. K., and J. D. Poll. "On the formation of cavitylike small-polaronic states in solid deuterium." Canadian Journal of Physics 63, no. 1 (1985): 94–98. http://dx.doi.org/10.1139/p85-015.

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Certain infrared absorption features in tritiated as well as proton-irradiated samples of solid deuterium have been attributed to the formation of bubblelike electronic states localized in the lattice. These bubblelike states are shown to be energetically stable in the Wigner–Seitz model of the crystal and the gap between the ground-state energies in the bubble and the quasi-free states of the electron is calculated. An initial trapping of the electron by a vacancy is assumed in calculating the localized state energy. Calculations based on a continuum model of the solid yield the radius of such bubbles to close agreement with that obtained from the observed Stark shift of the vibrational levels of the neighbouring molecules due to the localized electrons. The model is used to interpret the radiation-induced absorption in proton-irradiated solid deuterium in the spectral region 4000–7500 cm−1.
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10

ARABSHAHI, HADI. "CALCULATION OF THE ELECTRON DRIFT MOBILITY IN Cr2+:ZnS AND Cr2+:ZnSe MATERIALS BY RODE ITERATION MODEL." International Journal of Modeling, Simulation, and Scientific Computing 01, no. 04 (2010): 469–75. http://dx.doi.org/10.1142/s1793962310000262.

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The results of electron drift velocity in Cr2+:ZnS , and Cr2+:ZnSe are calculated for different temperatures, free-electron concentrations and compositions. The two-mode nature of the polar optic phonons is considered jointly with deformation potential acoustic, piezoelectric, alloy and ionized-impurity scattering. Band non-parabolocity, admixture of p functions, arbitrary degeneracy of the electron distribution, and the screening effects of free carriers on the scattering probabilities are incorporated. The Boltzmann equation is solved by an iterative technique using the currently established values of the material parameters. The iterative results are in fair agreement with other recent calculations obtained using the relaxation-time approximation and experimental methods.
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