Range-separated double-hybrid density-functional theory applied to periodic systems.

Abstract

Quantum chemistry methods exploiting density-functional approximations for short-range electron-electron interactions and second-order Møller-Plesset (MP2) perturbation theory for long-range electron-electron interactions have been implemented for periodic systems using Gaussian-type basis functions and the local correlation framework. The performance of… (More)
DOI: 10.1063/1.4922996

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Cite this paper

@article{Sansone2015RangeseparatedDD, title={Range-separated double-hybrid density-functional theory applied to periodic systems.}, author={Giuseppe Sansone and Bartolomeo Civalleri and Denis Usvyat and Julien Toulouse and Kamal Sharkas and Lorenzo Maschio}, journal={The Journal of chemical physics}, year={2015}, volume={143 10}, pages={102811} }