A pair natural orbital based implementation of CCSD excitation energies within the framework of linear response theory

2018 ◽  
Vol 148 (13) ◽  
pp. 134102 ◽  
Author(s):  
Marius S. Frank ◽  
Christof Hättig
Keyword(s):  
Linear Response ◽  
Linear Response Theory ◽  
Natural Orbital ◽  
Response Theory ◽  
Excitation Energies

scholarly journals Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition

2014 ◽  
Vol 140 (10) ◽  
pp. 104111 ◽  
Author(s):  
Pablo Baudin ◽  
José Sánchez Marín ◽  
Inmaculada García Cuesta ◽  
Alfredo M. J. Sánchez de Merás
Keyword(s):  
Linear Response ◽  
Linear Response Theory ◽  
Cholesky Decomposition ◽  
Response Theory ◽  
Excitation Energies
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