Diffusion Monte Carlo for accurate dissociation energies of 3d transition metal containing molecules

Author(s):
Doblhoff-Dier, K. (0000-0002-5981-9438); Meyer, J. (0000-0003-0146-730X); Hoggan, P.E.; Kroes, G.J. (0000-0002-4913-4689); Wagner, L.K.
Published
2016
Publication type
Article / Letter to editor
Date issued
2016
Language
English
Is part of
Journal of Chemical Theory and Computation (2016), Vol. 12, no. 6, p. 2583-2597
hdl
1887/43011
doi
10.1021/acs.jctc.6b00160