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

Title
Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic 2Σ and Vinyl Radicals as Test Cases
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 5, Pages 1953-1967
Publisher
American Chemical Society (ACS)
Online
2014-01-29
DOI
10.1021/ct400978j

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