Double‐hybrid density functionals

By Lars Goerigk, Stefan Grimme. 2014

342 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/bcc55ca6c371e714c745a6c6ca9e30852a29c16e

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. Pragya Verma
2. Donald G. Truhlar
3. Xin Xu
4. Neil Qiang Su
5. Roberto Peverati
6. Yan Zhao
7. Stefan Grimme
8. M. Head‐Gordon

In Physical and Theoretical Chemistry

1. Pragya Verma
2. Xin Xu
3. Donald G. Truhlar
4. Neil Qiang Su
5. Roberto Peverati
6. Yan Zhao
7. Stefan Grimme

Citations in the corpus

• Status and Challenges of Density Functional Theory (2020, background): “Any local functional may be augmented with nonlocal elements, the most common of which are nonlocal HF exchange (which has already been discussed), nonlocal orbital-dependent correlation [24,25], nonlocal density-dependent correlation [26], or so-called rung-3.”
• The XYG3 type of doubly hybrid density functionals (2016, background): “There are comprehensive review articles for the B2PLYP type of DH functionals.(106,107) This review focuses on our own development of the xDH functionals.”