Electron Number Distribution in Electron-Photon Showers

1958 ◽  
Vol 112 (6) ◽  
pp. 2096-2106 ◽  
Author(s):  
J. C. Butcher ◽  
H. Messel
Keyword(s):  
Electron Number ◽  
Number Distribution ◽  
Electron Photon

Spin resolved electron number distribution functions: How spins couple in real space

2007 ◽  
Vol 127 (14) ◽  
pp. 144103 ◽  
Author(s):  
A. Martín Pendás ◽  
E. Francisco ◽  
M. A. Blanco
Keyword(s):  
Real Space ◽  
Distribution Functions ◽  
Electron Number ◽  
Number Distribution

An electron number distribution view of chemical bonds in real space

2007 ◽  
Vol 9 (9) ◽  
pp. 1087-1092 ◽  
Author(s):  
A. Martín Pendás ◽  
E. Francisco ◽  
M. A. Blanco
Keyword(s):  
Real Space ◽  
Chemical Bonds ◽  
Electron Number ◽  
Number Distribution

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

2019 ◽  
Author(s):  
José Luis Casals-Sainz ◽  
Jesús Jara-Cortés ◽  
Jesús Hernández-Trujillo ◽  
José Manuel Guevara-Vela ◽  
Evelio Francisco ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Excited States ◽  
Chemical Bonding ◽  
Real Space ◽  
Distribution Functions ◽  
Electron Localization ◽  
Electron Number ◽  
Number Distribution

<p>In this contribution, we continue with our enterprise regarding the systematization of chemical bonding in excited states. We show how real space electron localization and delocalization measures, coupled to the statistical analysis of electron number distribution functions, may be used to discover <i>uncharted territories in chemical bonding </i>that are not easily accessible by other theoretical or computational means. The possibility of exotic bonding landscapes in excited states was already predicted years ago (<i>PCCP</i> 9, 1087, 2007). Here we demonstrate how easily these situations can be met.</p>

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

2019 ◽  
Author(s):  
José Luis Casals-Sainz ◽  
Jesús Jara-Cortés ◽  
Jesús Hernández-Trujillo ◽  
José Manuel Guevara-Vela ◽  
Evelio Francisco ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Excited States ◽  
Chemical Bonding ◽  
Real Space ◽  
Distribution Functions ◽  
Electron Localization ◽  
Electron Number ◽  
Number Distribution

<p>In this contribution, we continue with our enterprise regarding the systematization of chemical bonding in excited states. We show how real space electron localization and delocalization measures, coupled to the statistical analysis of electron number distribution functions, may be used to discover <i>uncharted territories in chemical bonding </i>that are not easily accessible by other theoretical or computational means. The possibility of exotic bonding landscapes in excited states was already predicted years ago (<i>PCCP</i> 9, 1087, 2007). Here we demonstrate how easily these situations can be met.</p>

Electron number distribution functions with iterative Hirshfeld atoms

2011 ◽  
Vol 975 (1-3) ◽  
pp. 2-8 ◽  
Author(s):  
E. Francisco ◽  
A. Martín Pendás ◽  
Aurora Costales ◽  
Marco García-Revilla
Keyword(s):  
Distribution Functions ◽  
Electron Number ◽  
Number Distribution

Revisiting the carbonyl n → π* electronic excitation through topological eyes: expanding, enriching and enhancing the chemical language using electron number distribution functions and domain averaged Fermi holes

2015 ◽  
Vol 17 (39) ◽  
pp. 26059-26071 ◽  
Author(s):  
David Ferro-Costas ◽  
Evelio Francisco ◽  
Ángel Martín Pendás ◽  
Ricardo A. Mosquera
Keyword(s):  
Electronic Excitation ◽  
Distribution Functions ◽  
Electron Number ◽  
Number Distribution ◽  
Chemical Language

Interpretations of the S0 → S1 transition in formaldehyde arising from the DAFH analysis.

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