ISSN:
0020-7608
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
In highly extended (mesoscopic) molecular networks or solid-state systems, one-electron states with an extremely complex (multifractal) internal structure commonly appear at intermediate length scales. It is shown that multifractality is not compatible with the concept of electron density. Physical intuition suggests that electron densities should be smooth both at atomic distances and close to the macroscopic limit. Special care must be taken, however, in studying density-based energy functionals at intermediate length scales due to the nonexistence of the density itself. In this contribution, the extension and practical calculation of some energy functionals for multifractal structures are discussed and statistical (scaling) properties are studied as well. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 125-131, 1998
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
