Ab Initio Thermodynamic and Thermophysical Properties of Sodium Metasilicate, Na2SiO3, and Their Electron-Density and Electron-Pair-Density Counterparts

2016 ◽  
Vol 120 (44) ◽  
pp. 8881-8895 ◽  
Author(s):  
Donato Belmonte ◽  
Carlo Gatti ◽  
Giulio Ottonello ◽  
Pascal Richet ◽  
Marino Vetuschi Zuccolini
Keyword(s):  
Ab Initio ◽  
Electron Density ◽  
Thermophysical Properties ◽  
Electron Pair ◽  
Sodium Metasilicate ◽  
Pair Density ◽  
Electron Pair Density

Bounds to the central electron-pair density with applications to two-electron atoms

1993 ◽  
Vol 47 (6) ◽  
pp. 5202-5205 ◽  
Author(s):  
J. S. Dehesa ◽  
J. C. Angulo ◽  
Toshikatsu Koga ◽  
Kazunori Matsui
Keyword(s):  
Electron Pair ◽  
Pair Density ◽  
Electron Pair Density

Electron pair density information measures in atomic systems

2010 ◽  
pp. n/a-n/a ◽  
Author(s):  
Robin P. Sagar ◽  
Humberto G. Laguna ◽  
Nicolais L. Guevara
Keyword(s):  
Electron Pair ◽  
Atomic Systems ◽  
Information Measures ◽  
Pair Density ◽  
Electron Pair Density

Correlated Monte Carlo electron-pair density for the atoms helium to neon

1998 ◽  
Vol 109 (17) ◽  
pp. 7075-7084 ◽  
Author(s):  
A. Sarsa ◽  
F. J. Gálvez ◽  
E. Buendı́a
Keyword(s):  
Monte Carlo ◽  
Electron Pair ◽  
Pair Density ◽  
Electron Pair Density

scholarly journals Electron pair density in the lowest1Σu+ and1Σg+ states of H2

2011 ◽  
Vol 135 (7) ◽  
pp. 074111 ◽  
Author(s):  
Jian Wang ◽  
Kwang S. Kim ◽  
Evert Jan Baerends
Keyword(s):  
Electron Pair ◽  
Pair Density ◽  
Electron Pair Density

Tight approximations to total scattering intensities from electron-pair density quantities

1997 ◽  
Vol 230 (5-6) ◽  
pp. 324-329 ◽  
Author(s):  
J.C. Cuchí ◽  
J. Antolín ◽  
A. Zarzo ◽  
J.C. Angulo
Keyword(s):  
Electron Pair ◽  
Total Scattering ◽  
Pair Density ◽  
Electron Pair Density
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