Lingzhu Kong

activity

20082012

most citedA Higher-Accuracy van der Waals Density Functional

2.8k citations · 3k across the 6 of their papers we have counts for

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Showing 2010Show all

2 papers · 1 filter

cond-mat.other2010★ 23 cited

First-principles approach to rotational-vibrational frequencies and infrared intensity for H $_{2}$ adsorbed in nanoporous materials

Lingzhu Kong, Yves J. Chabal, David C. Langreth

The absorption sites and the low-lying rotational and vibrational (RV) energy states for H $_{2}$ adsorbed within a metal-organic framework are calculated via van der Waals density fu…

cond-mat.mtrl-sci2010★ 2.8k cited

A Higher-Accuracy van der Waals Density Functional

Kyuho Lee, Éamonn D. Murray, Lingzhu Kong +2

We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange func…

First-principles approach to rotational-vibrational frequencies and infrared intensity for H2​ adsorbed in nanoporous materials

A Higher-Accuracy van der Waals Density Functional

First-principles approach to rotational-vibrational frequencies and infrared intensity for H $_{2}$ adsorbed in nanoporous materials