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Analysis of charge and spin densities
International Tables for Crystallography (2006). Vol. C, ch. 8.7, pp. 713-734 [ doi:10.1107/97809553602060000615 ]
... by integration over the space and spin coordinates of n - p particles, According to a basic postulate of quantum mechanics, physical ... the static density by integration over all nuclear configurations: where P(R) is the normalized probability distribution function of the nuclear ... Compton scattering, which is related to the momentum density [pi](p). The wavefunction in momentum space, defined by the ...
Introduction
International Tables for Crystallography (2006). Vol. C, Section 8.7.4.10.1, p. 733 [ doi:10.1107/97809553602060000615 ]
... structure factor, which was discussed in Section 8.7.3 [see also Coppens (2001)]. and are the orbital and spin-magnetization vectors ... II. Measurements on antiferromagnetic Fe2O3. Acta Cryst. A37, 324-331. Coppens, P. (2001). The structure factor. International tables for crystallography, ...
[more results from section 8.7.4 in volume C]
Uncertainties in derived functions
International Tables for Crystallography (2006). Vol. C, Section 8.7.3.9, p. 725 [ doi:10.1107/97809553602060000615 ]
... International Tables for Crystallography (2006). Vol. C, ch. 8.7, p. 725 © International Union of Crystallography 2006 | home | resources | advanced search ...
[more results from section 8.7.3 in volume C]
Electron densities and the n-particle wavefunction
International Tables for Crystallography (2006). Vol. C, Section 8.7.2, p. 713 [ doi:10.1107/97809553602060000615 ]
... by integration over the space and spin coordinates of n - p particles, According to a basic postulate of quantum mechanics, physical ... the static density by integration over all nuclear configurations: where P(R) is the normalized probability distribution function of the nuclear ... Compton scattering, which is related to the momentum density [pi](p). The wavefunction in momentum space, defined by the ...
Outline of this chapter
International Tables for Crystallography (2006). Vol. C, Section 8.7.1, p. 713 [ doi:10.1107/97809553602060000615 ]
... periodischen Systems der Elemente. Z. Phys. 48, 73-79. Hohenberg, P. & Kohn, W. (1964). Inhomogeneous electron gas. Phys. Rev. B ... International Tables for Crystallography (2006). Vol. C, ch. 8.7, p. 713 © International Union of Crystallography 2006 | home | resources | advanced search ...
The structure factor
International Tables for Crystallography (2010). Vol. B, ch. 1.2, pp. 10-23 [ doi:10.1107/97809553602060000759 ]
... function, as expressed by the convolution where n, m and p are integers, and [delta] is the Dirac delta function. Thus ... H2 molecule (Ruedenberg, 1962). It can be expressed as (Coppens et al., 1979), where [rho]' is the modified density and ... that . ++, , §As defined by where are Cartesian functions. ¶Paturle & Coppens (1988), as defined by where are Cartesian functions. ††ar = ...
International Tables for Crystallography (2006). Vol. C, ch. 8.7, pp. 713-734 [ doi:10.1107/97809553602060000615 ]
... by integration over the space and spin coordinates of n - p particles, According to a basic postulate of quantum mechanics, physical ... the static density by integration over all nuclear configurations: where P(R) is the normalized probability distribution function of the nuclear ... Compton scattering, which is related to the momentum density [pi](p). The wavefunction in momentum space, defined by the ...
Introduction
International Tables for Crystallography (2006). Vol. C, Section 8.7.4.10.1, p. 733 [ doi:10.1107/97809553602060000615 ]
... structure factor, which was discussed in Section 8.7.3 [see also Coppens (2001)]. and are the orbital and spin-magnetization vectors ... II. Measurements on antiferromagnetic Fe2O3. Acta Cryst. A37, 324-331. Coppens, P. (2001). The structure factor. International tables for crystallography, ...
[more results from section 8.7.4 in volume C]
Uncertainties in derived functions
International Tables for Crystallography (2006). Vol. C, Section 8.7.3.9, p. 725 [ doi:10.1107/97809553602060000615 ]
... International Tables for Crystallography (2006). Vol. C, ch. 8.7, p. 725 © International Union of Crystallography 2006 | home | resources | advanced search ...
[more results from section 8.7.3 in volume C]
Electron densities and the n-particle wavefunction
International Tables for Crystallography (2006). Vol. C, Section 8.7.2, p. 713 [ doi:10.1107/97809553602060000615 ]
... by integration over the space and spin coordinates of n - p particles, According to a basic postulate of quantum mechanics, physical ... the static density by integration over all nuclear configurations: where P(R) is the normalized probability distribution function of the nuclear ... Compton scattering, which is related to the momentum density [pi](p). The wavefunction in momentum space, defined by the ...
Outline of this chapter
International Tables for Crystallography (2006). Vol. C, Section 8.7.1, p. 713 [ doi:10.1107/97809553602060000615 ]
... periodischen Systems der Elemente. Z. Phys. 48, 73-79. Hohenberg, P. & Kohn, W. (1964). Inhomogeneous electron gas. Phys. Rev. B ... International Tables for Crystallography (2006). Vol. C, ch. 8.7, p. 713 © International Union of Crystallography 2006 | home | resources | advanced search ...
The structure factor
International Tables for Crystallography (2010). Vol. B, ch. 1.2, pp. 10-23 [ doi:10.1107/97809553602060000759 ]
... function, as expressed by the convolution where n, m and p are integers, and [delta] is the Dirac delta function. Thus ... H2 molecule (Ruedenberg, 1962). It can be expressed as (Coppens et al., 1979), where [rho]' is the modified density and ... that . ++, , §As defined by where are Cartesian functions. ¶Paturle & Coppens (1988), as defined by where are Cartesian functions. ††ar = ...
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