Performance of gradient-corrected and hybrid density functional theory: role of the underlying local density approximation and the gradient correction

Citation

Gill, P, Chan, B & Radom, L 2012, 'Performance of gradient-corrected and hybrid density functional theory: Role of the underlying Local Density Approximation and the gradient correction', Journal of Chemical Theory and Computation (JCTC), vol. 8, no. 12, pp. 4899-4906.

Year

2012

ANU Authors

Field of Research

  • Quantum Chemistry

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