Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic 2Σ and Vinyl Radicals as Test Cases

2014 ◽  
Vol 10 (5) ◽  
pp. 1953-1967 ◽  
Author(s):  
Tran Nguyen Lan ◽  
Yuki Kurashige ◽  
Takeshi Yanai
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