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** Electron distribution inhomogeneities **

Hohenberg P and Kohn W 1964. Inhomogeneous Electron Gas. Physical Review B136 864-871. [Pg.181]

Small-angle X-ray scattering (SAXS) [19] has been widely used to investigate the inhomogeneous electron density in materials [20]. In carbonaceous materials, porosity is commonly encountered. The pores form and provide escape routes for gases produced during the pyrolysis process. [Pg.349]

Inhomogeneous Electron Gas P. Hohenberg and W. Kohn Physical Review 136 (1964) B864... [Pg.222]

Vignale, G., and Rasolt, M., 1988, Current- and spin-density-functional theory for inhomogeneous electronic systems in strong magnetic fields , Phys. Rev. B 37 10685. [Pg.456]

The existence of the first HK theorem is quite surprising since electron-electron repulsion is a two-electron phenomenon and the electron density depends only on one set of electronic coordinates. Unfortunately, the universal functional is unknown and a plethora of different forms have been suggested that have been inspired by model systems such as the uniform or weakly inhomogeneous electron gas, the helium atom, or simply in an ad hoc way. A recent review describes the major classes of presently used density functionals [10]. [Pg.146]

Becke, A. D., 1988a, Correlation Energy of an Inhomogeneous Electron Gas. A Coordinate Space Model , J. Chem Phys., 88, 1053. [Pg.280]

Perdew, J. P., 1986, Density-Functional Approximation for the Correlation Energy of the Inhomogeneous Electron Gas , Phys. Rev. B, 33, 8822. [Pg.297]

Hohenberg, P. and Kohn, W. (1964) Inhomogeneous electron gas, Phys. Rev., 136, B864-B871. [Pg.101]

Heberle J (1971) The Debye integrals, the thermal shift and the Mossbauer fraction. In Mossbauer Effect Methodology Vol 7. Gruverman IJ (ed), Plenum, p 299-308 Herzberg G (1945) Molecular Spectra and Molecular Structure. II. Infrared and Raman Spectra of Polyatomic Molecules. Von Nostrand Reinhold, New York Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev 136 B864-871... [Pg.99]

Kohn, W., and Vashishta, P. (1983). General density functional theory. In Theory of the Inhomogeneous Electron Gas, edited by S. Lundqvist and N. H. March, Plenum, New York, pp. 79-147. [Pg.394]

S. Lundqvist and N.H. March, Theory of the inhomogeneous electron gas (Plenum Press, New York, 1983). [Pg.533]

** Electron distribution inhomogeneities **

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