Accelerated convergence treatment of R−n lattice sums

International Tables for Crystallography (2006). Vol. B. ch. 3.4, pp. 385-397 | 1 | 2 |
https://doi.org/10.1107/97809553602060000562

Chapter 3.4. Accelerated convergence treatment of R−n lattice sums

Accelerated convergence 3.4.1

formula via Patterson function 3.4.8

Complement of the incomplete gamma function 3.4.3, 3.4.4

Composite lattice 3.4.3, 3.4.5

Convergence

accelerated 3.4.1

accelerated, formula via Patterson function 3.4.8

Convergence-accelerated direct sum 3.4.4

Coulombic energy 3.4.1

Coulombic lattice energy 3.4.1, 3.4.6

Delta functions

Dirac 3.4.4

Dipole moment 3.4.6

Dirac delta function 3.4.4

Direct-lattice sum 3.4.5

Direct-space crystal lattice 3.4.4

Direct-space sum 3.4.2

Dispersion energy 3.4.1

Electrostatic energy 3.4.1

Ewald result 3.4.3

Fourier transforms 3.4.3

Fourier-transform space 3.4.3

Gamma function 3.4.3

Incomplete gamma function 3.4.3, 3.4.8

complement of 3.4.3, 3.4.4

evaluation of 3.4.9

Intramolecular energy terms 3.4.10

Ionic crystal, electrostatic energy of 3.4.1

L'Hospital's rule 3.4.4

Lattice

composite 3.4.3, 3.4.5

direct 3.4.4

Lattice energy, Coulombic 3.4.1, 3.4.6

Lattice transform 3.4.4

Leibnitz's formula 3.4.4

Madelung constant 3.4.1

Pairwise sum 3.4.2

Parseval's theorem 3.4.3

Partial net atomic charges 3.4.1

Reciprocal-lattice sum 3.4.5

Reciprocal-lattice vectors 3.4.4

Reciprocal space 3.4.3

Repulsion energy 3.4.1

Self-energy terms 3.4.2