LCPQ
/
eplf
mirror of https://gitlab.com/scemama/eplf
10
0
Fork 0
Code Issues Releases Wiki Activity

Update README

This commit is contained in:
Anthony Scemama 2020-06-03 00:40:28 +02:00
parent 7e44111935
commit c443dfb4c5
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
README.org
View File

@ -91,11 +91,11 @@ Computes the Electron Pair Localization Function.
Scemama, A., Chaquin, P., Caffarel, M. (2004).
"Electron pair localization function: A practical tool to visualize electron
localization in molecules from quantum Monte Carlo data".
/J. Chem. Phys./ *121* (4), 1725–1735. doi: 10.1063/1.1765098
/J. Chem. Phys./ *121* (4), 1725–1735. [[doi:10.1063/1.1765098]]
Scemama, A., Caffarel, M., Chaudret, R., & Piquemal, J.-P. (2011),
"Electron Pair Localization Function (EPLF) for Density Functional
Theory and ab Initio Wave Function-Based Methods: A New Tool for
Chemical Interpretation".
/J. Chem. Theory Comput./ *7* (3), 618–624. doi: 10.1021/ct1005938
/J. Chem. Theory Comput./ *7* (3), 618–624. [[doi:10.1021/ct1005938]]