7.1k citations · 8.3k across the 21 of their papers we have counts for
21 papers
Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures
Jianmin Tao, John P. Perdew, Hong Tang +1
Nanostructures can be bound together at equilibrium by the van der Waals (vdW) effect, a small but ubiquitous many-body attraction that presents challenges to density functional th…
Energy scaling law for nanostructured materials
Jianmin Tao, Yang Jiao, Yuxiang Mo +4
The equilibrium binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanost…
Comparative study of semilocal density functionals on solids and surfaces
Yuxiang Mo, Guocai Tian, Jianmin Tao
Recently, Tao and Mo (TM) proposed an accurate all-purpose nonempirical meta-generalized gradient approximation (meta-GGA). The exchange part was derived from the density matrix ap…
Performance of a nonempirical exchange functional from the density matrix expansion: comparative study with different correlation
Yuxiang Mo, Guocai Tian, Jianmin Tao
Recently, Tao and Mo proposed an accurate meta-generalized gradient approximation for the exchange-correlation energy. The exchange part is derived from the density matrix expansio…
Semilocal exchange hole with an application to range-separation density functional
Jianmin Tao, Ireneusz W. Bulik, Gustavo E. Scuseria
Exchange-correlation hole is a central concept in density functional theory. It not only provides justification for an exchange-correlation energy functional, but also serves as a…
Assessment of a nonempirical semilocal density functional on solids and surfaces
Yuxiang Mo, Roberto Car, Viktor N. Staroverov +2
Recently, Tao and Mo developed a new nonempirical semilocal exchange-correlation density functional. The exchange part of this functional is derived from a density matrix expansion…