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The holographic electron density theorem and quantum similarity measures

โœ Scribed by MEZEY, PAUL G.


Book ID
118271034
Publisher
Taylor and Francis Group
Year
1999
Tongue
English
Weight
940 KB
Volume
96
Category
Article
ISSN
0026-8976

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๐Ÿ“œ SIMILAR VOLUMES


Communications on quantum similarity (2)
โœ R. Carbรณ-Dorca; E. Besalรบ ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 151 KB

## Abstract The soโ€called holographic electron density theorem (HEDT) is analyzed from an algebraic perspective, and a brief analytical point of view is also given. The connection of the HEDT with quantum similarity measures (QSM) over electronic density functions (DF) is studied using GTO function

Quantum similarity measures and Lรถwdin's
โœ Paul G. Mezey ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 182 KB

The relations between the general form of Carbo's quantum similarity measure and the ล›imilarity measure based on the Lowdin transform of approximate density matrices are discussed. These relations provide the basis for the study of macromolecular forces and small deformations of electron densities

The use of ab initio quantum molecular s
โœ Miquel Solร ; Jordi Mestres; Josep M. Oliva; Miquel Duran; Ramon Carbรณ ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 975 KB

Exact quantum molecular overlaplike and Coulomb-like self-similarity measures are studied in a selected series of molecules with the same number of electrons. It is found that quantum molecular overlap self-similarity measures can be used to estimate the concentration of electronic charge in molecul