Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

By Vincenzo Barone, M. Casarin, D. Forrer, Michele Pavone, M. Sambi, A. Vittadini. Journal of Computational Chemistry, 2009

731 citations recorded by the source corpus.

Subfields: Materials Chemistry, Mechanics of Materials, Radiation

View Paper: https://www.semanticscholar.org/paper/50748a0e361149d225c9b1bc5f5499129e4173c4

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. A. Stesmans
2. V. Afanas'ev
3. Michel Houssa
4. E. Scalise
5. Geoffrey Pourtois
6. John Robertson

Citations in the corpus

• Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 (2011, methodology): “The first-principles calculations were performed within the density-functional theory (DFT) using the generalized gradient approximation (GGA) proposed by Perdew, Burke, and Ernzerhof [16] for the exchange and correlation energy, as implemented in the Quantum ESPRESSO package [17] with the addition ”