Comparison of DFT methods for molecular orbital eigenvalue calculations.

By Gang Zhang, C. Musgrave. Journal of Physical Chemistry A, 2007

799 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/3676962a99dcde3cce49994e7421ce3abeacbe5d