Many-electron self-interaction error in approximate density functionals.

By P. Mori-Sánchez, A. Cohen, Weitao Yang. Journal of Chemical Physics, 2006

658 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/fc64d070b8a0da8cabfd851c808a850cd8dfcf58

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. Neil Qiang Su
2. Xiao Zheng
3. Chen Li
4. Weitao Yang

In Materials Chemistry

1. Neil Qiang Su
2. Weitao Yang

In Physical and Theoretical Chemistry

1. Weitao Yang
2. Neil Qiang Su

Citations in the corpus

• Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations (2017, background): “[11] However, multiple definitions of MSIE exist: the term many-electron self-interaction error has also been defined in Ref [21, 32], yet it was used to describe both convex and concave behaviors of fractional charges, which leads to totally different behaviors of errors in DFAs.”