Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules-Reference-Cited by-同舟云学术

Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules

Published:2016-06-02 Issue:6 Volume:12 Page:2583-2597
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Doblhoff-Dier Katharina¹,Meyer Jörg¹,Hoggan Philip E.²,Kroes Geert-Jan¹,Wagner Lucas K.³

Affiliation:

1. Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Post Office Box 9502, 2300 RA Leiden, Netherlands

2. Institute Pascal, UMR 6602 CNRS, University Blaise Pascal, 4 avenue Blaise Pascal, TSA 60026, CS 60026, 63178 Aubiere Cedex, France

3. Department of Physics, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States

Funder

Advanced Scientific Computing Research

European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00160

Reference88 articles.

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