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Scaling behavior of energy functionals of highly complex electron distributions
Author(s) -
Pipek János,
Varga Imre
Publication year - 1998
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1998)70:1<125::aid-qua10>3.0.co;2-e
Subject(s) - mesoscopic physics , multifractal system , scaling , statistical physics , physics , electron , intuition , quantum mechanics , fractal , mathematics , mathematical analysis , philosophy , geometry , epistemology
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