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Van der Waals interactions in ionic and semiconductor solids.
Zhang GX, Tkatchenko A, Paier J, Appel H, Scheffler M. Zhang GX, et al. Among authors: tkatchenko a. Phys Rev Lett. 2011 Dec 9;107(24):245501. doi: 10.1103/PhysRevLett.107.245501. Epub 2011 Dec 5. Phys Rev Lett. 2011. PMID: 22243011
Accurate and efficient method for many-body van der Waals interactions.
Tkatchenko A, DiStasio RA Jr, Car R, Scheffler M. Tkatchenko A, et al. Phys Rev Lett. 2012 Jun 8;108(23):236402. doi: 10.1103/PhysRevLett.108.236402. Epub 2012 Jun 7. Phys Rev Lett. 2012. PMID: 23003978 Free article.
This leads to a seamless description of polarization and depolarization for the polarizability tensor of molecules and solids. The screened long-range many-body vdW energy is obtained from the solution of the Schrodinger equation for a system of coupled oscillators. …
This leads to a seamless description of polarization and depolarization for the polarizability tensor of molecules and solids. The sc …
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces.
Carrasco J, Liu W, Michaelides A, Tkatchenko A. Carrasco J, et al. Among authors: tkatchenko a. J Chem Phys. 2014 Feb 28;140(8):084704. doi: 10.1063/1.4866175. J Chem Phys. 2014. PMID: 24588188 Free article.
Among these newly developed vdW-inclusive methods, interatomic vdW approaches that account for the nonlocal screening within the bulk [V. G. Ruiz, W. Liu, E. Zojer, M. Scheffler, and A. Tkatchenko, Phys. Rev. Lett. 108, 146103 (2012)] and improved nonlocal functiona …
Among these newly developed vdW-inclusive methods, interatomic vdW approaches that account for the nonlocal screening within the bulk [V. G. …
193 results