Long-range interactions from the many-pair expansion: A different avenue to dispersion in DFT
One of the several problems that plague majority of density functional theory calculations is their inability to properly account for long-range correlations giving rise to dispersion forces. The recently proposed many-pair expansion (MPE) [T. Zhu et al., Phys. Rev. B 93, 201108(R) (2016)] is a hier...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Institute of Physics (AIP)
2018
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| Online Access: | http://hdl.handle.net/1721.1/115107 https://orcid.org/0000-0002-4985-7350 https://orcid.org/0000-0003-2061-3237 https://orcid.org/0000-0001-7111-0176 |