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Crystal Potential Formula for the Calculation of Crystal Lattice Sums 1

✍ Scribed by Steiger, Don; Ahlbrandt, Calvin; Glaser, Rainer

Book ID
126146554
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
55 KB
Volume
102
Category
Article
ISSN
0022-3654

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## Abstract A method of direct calculation of lattice sums in three‐dimensional crystals is reported. The method is based on annihilation of some lowest multipole moments of the unit cell by a redefinition of the unit cell content. As a result, properties of the infinite crystal can be calculated a