Semiempirical calculations of molecular valence-shell ionization potentials by linear response theory based on coupled clusters

1986 ◽  
Vol 82 (4) ◽  
pp. 695
Author(s):  
Kalyan K. Das ◽  
Debashis Mukherjee ◽  
Sankar P. Bhattacharyya
Keyword(s):  
Linear Response ◽  
Linear Response Theory ◽  
Ionization Potentials ◽  
Semiempirical Calculations ◽  
Valence Shell ◽  
Response Theory ◽  
Coupled Clusters ◽  
Shell Ionization

Ionization potentials of beryllium-like ions from the relativistic coupled-cluster-based linear response theory

2000 ◽  
Vol 33 (22) ◽  
pp. 5129-5138 ◽  
Author(s):  
Rajat K Chaudhuri ◽  
Prafulla K Panda ◽  
Holger Merlitz ◽  
B P Das ◽  
Uttam Sinha Mahapatra ◽  
...  
Keyword(s):  
Linear Response ◽  
Linear Response Theory ◽  
Ionization Potentials ◽  
Coupled Cluster ◽  
Response Theory
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