Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods

By J. Kohanoff. 2006

257 citations recorded by the source corpus.

View Paper: https://www.semanticscholar.org/paper/6b1273d8e43ecdb418bcb6329b12a52472daaf8d

How researchers see this paper

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

1. James R. Chelikowsky
2. Suzanne Shontz
3. J. Nieplocha
4. M. Valiev
5. E. Bylaska
6. Niranjan Govind
7. E. Aprá
8. Karol Kowalski

Citations in the corpus

• Numerical Methods for Electronic Structure Calculations of Materials (2010, background): “Fourth, energy can slosh between the electronic and nuclear variables [99].”
• NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations (2010, background): “Detailed discussion of different classes of exchange-correlation functionals is beyond the scope of this paper, and we refer the interested reader to more comprehensive references on this subject [6,7,16,21–25].”