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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 86 (1982), S. 2262-2267 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 28 (1987), S. 2975-2976 
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: By taking the electron densities of semi-infinite electron gases in one and in three dimensions, and forming the Slater sum by the Laplace transform, it is shown that the Slater sum is the classical partition function in d dimensions, times a function independent of dimensionality. The electron density is thereby calculated for general dimensionality, as is the kinetic energy density. As a by-product, the dimensionality dependence of Friedel oscillations emerges in general form.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 89 (2001), S. 3627-3630 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Motivated by experiments showing decreasing tensile modulus of nylons with increasing plasticizer content, a model involving the disruption of nylon hydrogen bonding by addition of plasticizer is proposed. This leads to proposed further experiments and suggests a complementary phenomenological analysis that involves the bulk modulus. The surface energy as a function of plasticizer concentration is then incorporated into the phenomenology. The importance of varying the temperature in the proposed thermodynamic measurements is stressed. © 2001 American Institute of Physics.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 84 (1998), S. 209-212 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Lattice models to describe the steady-state propagation of (i) a screw dislocation and (ii) a crack as a pileup of screw dislocations appear to be useful. This prompts us to exhibit a solitary wave equation which describes the continuum limit of the lattice model of Celli and Flytzanis for a screw dislocation. Some numerical consequences of this continuum equation are also presented. © 1998 American Institute of Physics.
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 40 (1999), S. 2671-2679 
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: For the hydrogenlike atom, with central potential −Z/r, partial differential equations exist for the Slater sum Z(r,β) [β=(kBT)−1] and for its s-wave (l=0) component Z0(r,β). It is shown that Z can be eliminated, to lead to a result in which Z(r,β) is solely characterized by Z0(r,β). A similar situation is exhibited for the three-dimensional isotropic harmonic oscillator, for which closed forms of both Z(r,β,ω) and Z0(r,β,ω) can be obtained explicitly. Finally, a third central field problem is considered in which independent electrons are confined within a sphere of radius R, but are otherwise free. We are able to derive explicitly for this model the s-wave component Z0(r,β,R). The full Slater sum Z(r,β,R) then is also analyzed in some detail. © 1999 American Institute of Physics.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 34 (1993), S. 549-557 
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The Thomas–Fermi theory is generalized to apply to an inhomogeneous electron assembly in an applied constant magnetic field of arbitrary field strength. The tool used is the canonical density matrix satisfying the Bloch equation. A suitable inverse Laplace transform then generates the ground-state electron density. Known results can be recovered analytically in the weak field and in the high field limits. However, for intermediate fields, results are presented for specimen field strengths and for model atomic potentials, using a numerical Laplace inversion technique.
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 42 (2001), S. 3361-3371 
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The differential virial theorem of March and Young for N fermions moving in a common one-dimensional potential energy V(x) is here combined with the Euler equation of density functional theory expressing the constancy of the chemical potential throughout the entire inhomogeneous particle density. The functional derivative of the single-particle kinetic energy is thereby expressed directly in terms of the kinetic energy density; a line integral being involved in establishing the connection. This result is then used to establish a formula measuring departures from simple homogeneity of the kinetic energy functional: a matter of current interest in density functional theory. Finally, the general theory of the functional derivative of the single-particle kinetic energy with respect to the particle density is exemplified for the case of harmonic confinement of fermions in one dimension. © 2001 American Institute of Physics.
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 38 (1997), S. 2037-2052 
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: Forms of canonical (Bloch) and Dirac density matrices for free electrons with and without external applied fields are first considered. The basic tool employed is the Bloch equation with a one-electron Hamiltonian. Such an approach is used to obtain a perturbation theory to all orders for the idempotent Dirac density matrix when a common potential energyV(r) is switched on to originally free electrons. The relation to density functional theory is then considered and the exchange–correlation contributionVxc(r) to V(r) is expressed in terms of first- and second-order density matrices following Holas and March. These latter density matrices are now for the fully interacting system and, in particular, the first-order density matrix is no longer idempotent, though it must still satisfy generalized Pauli Principle conditions. Reference is also made to a localized Wigner electron in a strong magnetic field. © 1997 American Institute of Physics.
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 35 (1994), S. 577-586 
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The kinetic energy as a functional of the particle-number and current densities and the corresponding functional derivatives of this energy are discussed and constructed for a relativistic single-electron problem. By an additional assumption of slowly varying spatial potentials, a Klein–Gordon equation is established from which the ground-state electron density can be calculated, and an approximate form of the kinetic energy functional obtained. While there are local errors of O(1/c2) introduced by the mentioned assumption, it is shown that in calculating the energy of the system these errors average to zero, leaving errors only of O(1/c4).
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Inorganic chemistry 34 (1995), S. 1377-1383 
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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