configuration interaction
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scholarly journals Relativistic time-dependent configuration-interaction singles method

2022 ◽  
Vol 105 (1) ◽  
Author(s):  
Felipe Zapata ◽  
Jimmy Vinbladh ◽  
Anton Ljungdahl ◽  
Eva Lindroth ◽  
Jan Marcus Dahlström
Keyword(s):  
Configuration Interaction ◽  
Time Dependent ◽  
Relativistic Time

Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra

2021 ◽  
Author(s):  
Andrew J. Jenkins ◽  
Hang Hu ◽  
Lixin Lu ◽  
Michael J. Frisch ◽  
Xiaosong Li
Keyword(s):  
Absorption Spectra ◽  
Configuration Interaction ◽  
X Ray ◽  
Active Space ◽  
Two Component ◽  
X Ray Absorption

scholarly journals Benchmark study of Nagaoka ferromagnetism by spin-adapted full configuration interaction quantum Monte Carlo

2021 ◽  
Vol 104 (23) ◽  
Author(s):  
Sujun Yun ◽  
Werner Dobrautz ◽  
Hongjun Luo ◽  
Ali Alavi
Keyword(s):  
Monte Carlo ◽  
Configuration Interaction ◽  
Quantum Monte Carlo ◽  
Full Configuration Interaction ◽  
Benchmark Study
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