Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids

By J. Harl, Laurids Schimka, Georg Kresse. 2010

314 citations recorded by the source corpus.

Subfields: Atmospheric Science, Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/92014987292f383b09d03bb0ba4095e7067f69c4

How researchers see this paper

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

In Atomic and Molecular Physics, and Optics

1. T. Thonhauser
2. Kyuho Lee
3. Elsebeth Schröder
4. B. Lundqvist
5. Kristian Berland
6. Per Hyldgaard
7. Valentino R. Cooper
8. Alexandre Tkatchenko

In Materials Chemistry

1. Valentino R. Cooper
2. Kristian Berland
3. Per Hyldgaard
4. Elsebeth Schröder
5. Kyuho Lee
6. T. Thonhauser
7. B. Lundqvist

Citations in the corpus

• A foundation model for atomistic materials chemistry. (2023, unknown): “…developments in DFT are beginning to supersede it by achieving improved accuracy at comparable computational cost ( 103, 104 ), and methods beyond DFT such as hybrid functionals ( 105 ) and the random phase approximation ( 106 ) improve upon this even further but at much larger computational cost.”
• Recent developments in the ABINIT software package (2016, unknown): “The situation can be improved with the use of an extrapolation scheme [88,89].”
• van der Waals forces in density functional theory: a review of the vdW-DF method (2014, methodology): “RPA calculations have been used for solids [159, 162], molecular systems [163, 164], and layered materials [165].”