@article{oai:kanazawa-u.repo.nii.ac.jp:00010851, author = {小田, 竜樹 and Obata, Masao and Hamada, Ikutaro and Oda, Tatsuki}, journal = {Physics Procedia}, month = {Jan}, note = {We introduce scaling parameters for the spin-polarization dependent gradient correction to the local correlation in the van der Waals density functional, which enable us to tune the magnetic interaction between atoms and molecules. We have applied the method to solid oxygen and found that by using an optimal choice of the parameters, the structural parameters are significantly improved over the ones obtained in the previous work. We discuss the generic features of the proposed approach. © 2015 The Authors. Published by Elsevier B.V., 20th International Conference on Magnetism, ICM 2015; Palau de Congressos de Catalunya679, Avinguda DiagonalBarcelona; Spain; 5 July 2015 through 10 July 2015}, pages = {771--778}, title = {First Principles Study on Solid Oxygen Using Van der Waals Density Functional}, volume = {75}, year = {2015} }