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van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions.
Berland K, Arter CA, Cooper VR, Lee K, Lundqvist BI, Schröder E, Thonhauser T, Hyldgaard P. Berland K, et al. J Chem Phys. 2014 May 14;140(18):18A539. doi: 10.1063/1.4871731. J Chem Phys. 2014. PMID: 24832347
A very recent functional within this method called vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89, 035412 (2014)] stands out in its attempt to use an exchange energy derived from the same plasmon-based theory from which the nonlocal correlation energy was d …
A very recent functional within this method called vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89, 035412 (2014)] sta …
Next-Generation Nonlocal van der Waals Density Functional.
Chakraborty D, Berland K, Thonhauser T. Chakraborty D, et al. Among authors: berland k. J Chem Theory Comput. 2020 Sep 8;16(9):5893-5911. doi: 10.1021/acs.jctc.0c00471. Epub 2020 Aug 24. J Chem Theory Comput. 2020. PMID: 32786912
59 results