Performance of Diffusion Monte Carlo Calculations for Predicting the Relative Energies of Quinoidal and Nonquinoidal Species

Journal:
The Journal of Physical Chemistry Letters
Published:
DOI:
10.1021/acs.jpclett.5c03120
Affiliations:
2
Authors:
3
Institutions Authors Share
University of Pittsburgh (Pitt), United States of America (USA)
2.000000
0.67
Argonne National Laboratory (ANL), United States of America (USA)
1.000000
0.33