2026-04-13T15:08:31Zhttps://recercat.cat/oai/requestoai:recercat.cat:10256/154922024-06-18T13:53:34Zcom_2072_452955com_2072_2054col_2072_453073
RECERCAT
author
Carbó-Dorca, Ramon
author
Besalú i Llorà, Emili
2024-06-18T13:53:34Z
2024-06-18T13:53:34Z
info:eu-repo/date/embargoEnd/2026-01-012010-10-01
http://hdl.handle.net/10256/15492
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 endContract/grant sponsor: Spanish Ministerio de Educación y Ciencia;
contract/grant number: CTQ2009-09370/BQU
Tots els drets reservats info:eu-repo/semantics/embargoedAccess
Química quàntica
Quantum chemistry
Quàntums, Teoria dels
Quantum theory
Electrons -- Distribució
Electron distribution
Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion peer-reviewed