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 Results for DC.creator="Z." AND DC.creator="Su" in section 8.7.3 of volume C   page 2 of 3 pages.
Electrostatic potential outside a charge distribution
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.2.2, p. 720 [ doi:10.1107/97809553602060000615 ]
... The result is equivalent to more general expressions given by Su & Coppens (1992), which, for very large values of , reduce to ... Molecular theory of gases and liquids. New York: John Wiley. Su, Z. & Coppens, P. (1992). On the mapping of electrostatic ...

The electrostatic potential and its derivatives
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.2.1, pp. 718-719 [ doi:10.1107/97809553602060000615 ]
... the operator |r - r'|-1 in (8.7.3.50) towards x, y, z and subsequent addition of the vector components. For the negative ... and penetration terms, as discussed by Epstein & Swanton (1982) and Su & Coppens (1992, 1994b), where appropriate expressions are given. Such contributions ... density distribution of iron pyrite. Inorg. Chem. 19, 813-820. Su, Z. & Coppens, P. (1992). On the mapping of ...

The electrostatic potential
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.2, pp. 718-720 [ doi:10.1107/97809553602060000615 ]
... the operator |r - r'|-1 in (8.7.3.50) towards x, y, z and subsequent addition of the vector components. For the negative ... and penetration terms, as discussed by Epstein & Swanton (1982) and Su & Coppens (1992, 1994b), where appropriate expressions are given. Such contributions ... The result is equivalent to more general expressions given by Su & Coppens (1992), which, for very large values of , reduce ...

Electrostatic moments of a subvolume of space by Fourier summation
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.1.5, p. 718 [ doi:10.1107/97809553602060000615 ]
... a parallelepiped with edges [delta]x, [delta]y, and [delta]z (from Moss & Coppens, 1981) j0 and j1 are the zero ...

Total moments as a sum over the pseudoatom moments
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.1.4, p. 718 [ doi:10.1107/97809553602060000615 ]
... have been given by Cromer, Larson & Stewart (1976) and by Su & Coppens (1994a). The transformation to a common coordinate origin ... i located at become and with [alpha], [beta] = x, y, z; and expressions equivalent to (8.7.3.44) for the traceless components [alpha ... with generalized scattering factors. J. Chem. Phys. 65, 336-349. Su, Z. & Coppens, P. (1994a). Rotation of real spherical ...

The effect of an origin shift on the outer moments
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.1.3, pp. 717-718 [ doi:10.1107/97809553602060000615 ]
... a shift of origin by R[alpha], or X, Y, Z in the original coordinate system. In three dimensions, we get ...

Molecular moments based on the deformation density
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.1.2, p. 717 [ doi:10.1107/97809553602060000615 ]
Molecular moments based on the deformation density 8.7.3.4.1.2. Molecular moments based on the deformation density The moments derived from the total density [rho](r) and from the deformation density [Delta][rho](r) are not identical. To illustrate the relation for the diagonal elements of the second-moment tensor, we rewrite the ...

Moments as a function of the atomic multipole expansion
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.1.1, pp. 716-717 [ doi:10.1107/97809553602060000615 ]
Moments as a function of the atomic multipole expansion 8.7.3.4.1.1. Moments as a function of the atomic multipole expansion In the multipole model [expression (8.7.3.7)], the charge density is a sum of atom-centred density functions, and the moments of a whole distribution can be written as a sum over the ...

Moments of a charge distribution
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4.1, pp. 716-718 [ doi:10.1107/97809553602060000615 ]
... yz, (x2 - y2)/2, and xy, where x, y and z are the components of a unit vector from the origin ... a shift of origin by R[alpha], or X, Y, Z in the original coordinate system. In three dimensions, we get ... have been given by Cromer, Larson & Stewart (1976) and by Su & Coppens (1994a). The transformation to a common coordinate ...

Electrostatic moments and the potential due to a charge distribution
Coppens, P., Su, Z. and Becker, P. J.  International Tables for Crystallography (2006). Vol. C, Section 8.7.3.4, pp. 716-721 [ doi:10.1107/97809553602060000615 ]
... yz, (x2 - y2)/2, and xy, where x, y and z are the components of a unit vector from the origin ... a shift of origin by R[alpha], or X, Y, Z in the original coordinate system. In three dimensions, we get ... have been given by Cromer, Larson & Stewart (1976) and by Su & Coppens (1994a). The transformation to a common coordinate ...

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