Theoretical Calculation of Core-Excited States along Dissociative Pathways beyond Second-Order Perturbation Theory

2021 ◽  
Author(s):  
Meng Huang ◽  
Chenyang Li ◽  
Francesco A. Evangelista
Keyword(s):  
Perturbation Theory ◽  
Theoretical Calculation ◽  
Excited States ◽  
Second Order ◽  
Order Perturbation ◽  
Order Perturbation Theory ◽  
Second Order Perturbation Theory

Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study

2010 ◽  
Vol 7 (1) ◽  
pp. 153-168 ◽  
Author(s):  
Vicenta Sauri ◽  
Luis Serrano-Andrés ◽  
Abdul Rehaman Moughal Shahi ◽  
Laura Gagliardi ◽  
Steven Vancoillie ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Excited States ◽  
Second Order ◽  
Order Perturbation ◽  
Order Perturbation Theory ◽  
Electronic Excited States ◽  
Active Space ◽  
Benchmark Study ◽  
Second Order Perturbation Theory
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