Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region

By M. Grüning, O. Gritsenko, S. V. Gisbergen, E. Baerends. 2001

316 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/bbc6083ac353e152dae9ff3e62b619d1c2dde6c6

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. Konrad Patkowski
2. E. Hohenstein
3. L. Burns
4. Susi Lehtola
5. Robert M. Parrish
6. Holger Kruse

In Organic Chemistry

1. Konrad Patkowski

Citations in the corpus

• Psi4 1.4: Open-source software for high-throughput quantum chemistry. (2020, methodology): “The long-range behavior that is important for dispersion interactions is known to be problematic for generalized gradient approximation (GGA) functionals, and in DFT-SAPT this is corrected by gradient-regulated asymptotic correction (GRAC) 152 in obtaining the Kohn–Sham or-bitals.”