Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions-Reference-Cited by-同舟云学术

Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions

Published:2014-06-26 Issue:8 Volume:10 Page:3417-3422
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Benali Anouar¹,Shulenburger Luke²,Romero Nichols A.¹,Kim Jeongnim³,von Lilienfeld O. Anatole¹⁴

Affiliation:

1. Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439, United States

2. HEDP Theory Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States

3. Materials Science and Technology Division and Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tenessee 37831, United States

4. Institute of Physical Chemistry, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland

Funder

Swiss National Science Foundation

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct5003225

Reference72 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

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4. Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr

5. Van der Waals Density Functional for General Geometries

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