Name
Title | ||
|---|---|---|
Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures. |
Abstract | ||
|---|---|---|
The so-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 functions, atomic ASA DF, and promolecular ASA DF. Restricted integration of QSM over a box of finite side length is discussed for all this DF. This work emphasizes the geometric aspects of HEDT, but for the sake of completeness, some analytical insight based on a general Taylor series expansion is also given at the end. (C) 2010 Wiley Periodicals, Inc. J Comput Chem 31: 2452-2462, 2010 |
Year | DOI | Venue |
|---|---|---|
2010 | 10.1002/jcc.21537 | JOURNAL OF COMPUTATIONAL CHEMISTRY |
Keywords | Field | DocType |
holographic electron density theorem (HEDT),electronic density functions (DF),quantum similarity measures (QSM),atomic shell approximation (ASA),confined QSM,general Taylor series expansion (TSE) of DF | Quantum,Algebraic number,Mathematical analysis,Compact space,Probability density function,Completeness (statistics),Mathematics,Bounded function,Taylor series,Analytic continuation | Journal |
Volume | Issue | ISSN |
31 | 13 | 0192-8651 |
Citations | PageRank | References |
2 | 0.40 | 14 |
Authors | ||
2 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Ramon Carbó-Dorca | 1 | 199 | 28.14 |
| E Besalú | 2 | 42 | 6.09 |