Self‐consistent electron pair theory for certain types of open shell wavefunctions

1977 ◽  
Vol 67 (10) ◽  
pp. 4716-4718 ◽  
Author(s):  
Clifford E. Dykstra
Keyword(s):  
Electron Pair ◽  
Open Shell ◽  
Self Consistent

An efficient reformulation of the closed‐shell self‐consistent electron pair theory

1984 ◽  
Vol 81 (4) ◽  
pp. 1901-1905 ◽  
Author(s):  
Péter Pulay ◽  
Svein Saebo/ ◽  
Wilfried Meyer
Keyword(s):  
Electron Pair ◽  
Closed Shell ◽  
Self Consistent

scholarly journals Study of odd–even effects in physisorption and chemisorption of Ar, N2, O2 and NO on open shell Ag11–13+ clusters by means of self-consistent van der Waals density functional calculations

2019 ◽  
Vol 21 (45) ◽  
pp. 25158-25174
Author(s):  
Eva M. Fernández ◽  
Luis C. Balbás
Keyword(s):  
Small Molecules ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Van Der Waals ◽  
Open Shell ◽  
Self Consistent

Electronic and structural odd-even effects in the adsorption of small molecules on open shell silver cationic clusters have been rationalized.

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