Self-consistent-field potential energy surface in three dimensions for the Cl + H2 → ClH + H chemical reaction

1971 ◽  
Vol 10 (5) ◽  
pp. 565-568 ◽  
Author(s):  
S. Rothenberg ◽  
H.F. Schaefer
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Chemical Reaction ◽  
Energy Surface ◽  
Field Potential ◽  
Three Dimensions ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Localization of the 4f wave-function in cesium

1996 ◽  
Vol 74 (9-10) ◽  
pp. 565-567
Author(s):  
B. N. Onwuagba
Keyword(s):  
Wave Function ◽  
Field Potential ◽  
Local Spin Density Approximation ◽  
Energy Term ◽  
Radial Part ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Kinetic Energy Term ◽  
Insight Into

The local spin density approximation is used in the study of the localization of the 4f wave function in cesium, by superimposing the radial part of the kinetic-energy term on the self-consistent field potential VSCF(r). The results obtained show a collapsed 4f wave function in Cs+, but not in neutral Cs, which compares favourably with the previous findings and provide good insight into the understanding of the collapsed 4f wave function in cesium.

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