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- Jianmin Tao, John P Perdew, Viktor N Staroverov, Gustavo E. Scuseria
- Physical review letters
- 2003

The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA densityâ€¦ (More)

Lattice constant and cohesive energy are basic properties in the design of materials and devices. However, due to neglect of long-range van der Waals (vdW) interactions, density functionalâ€¦ (More)

- Jianmin Tao, John P Perdew
- The Journal of chemical physics
- 2005

It is known that the nonempirical generalized gradient approximation (GGA) of Perdew, Burke, and Ernzerhof (PBE) provides a much more realistic description of the short-range part of the van derâ€¦ (More)

- Jianmin Tao, Giovanni Vignale
- Physical review letters
- 2006

Approximations for the ground-state exchange-correlation potential of density-functional theory have reached a high level of sophistication. By contrast, time- or frequency-dependentâ€¦ (More)

Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional.

- John P Perdew, Jianmin Tao, Viktor N Staroverov, Gustavo E. Scuseria
- The Journal of chemical physics
- 2004

Tao, Perdew, Staroverov, and Scuseria (TPSS) have constructed a nonempirical meta-generalized gradient approximation (meta-GGA) [Phys. Rev. Lett. 91, 146401 (2003)] for the exchange-correlationâ€¦ (More)

- John P Perdew, Adrienn Ruzsinszky, Jianmin Tao, Viktor N Staroverov, Gustavo E. Scuseria, GÃ¡bor I. Csonka
- The Journal of chemical physics
- 2005

We present the case for the nonempirical construction of density functional approximations for the exchange-correlation energy by the traditional method of "constraint satisfaction" without fittingâ€¦ (More)

- Adrienn Ruzsinszky, John P Perdew, Jianmin Tao, GÃ¡bor I. Csonka, JosÃ© M. Pitarke
- Physical review letters
- 2012

The van der Waals coefficients between quasispherical nanostructures can be modeled accurately and analytically by those of classical solid spheres (for nanoclusters) or spherical shells (forâ€¦ (More)

- Jianmin Tao, Yuxiang Mo
- Physical review letters
- 2016

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However,â€¦ (More)

- Jianmin Tao, Ana P. Barros
- 2014

Debris flows associated with rainstorms are a frequent and devastating hazard in the Southern Appalachians in the United States. Whereas warm-season events are clearly associated with heavy rainfallâ€¦ (More)

- Shi Liu, Sriraj Srinivasan, Jianmin Tao, Michael C. Grady, Masoud Soroush, Andrew M Rappe
- The journal of physical chemistry. A
- 2014

A spin-forbidden reaction is a reaction in which the total electronic spin-state changes. The standard transition-state theory that assumes a reaction occurs on a single potential energy surface withâ€¦ (More)