10
0
mirror of https://gitlab.com/scemama/eplf synced 2024-06-12 16:25:28 +02:00

Update README

This commit is contained in:
Anthony Scemama 2020-06-03 00:44:56 +02:00
parent c443dfb4c5
commit 918d847826

View File

@ -91,11 +91,13 @@ 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), 17251735. [[doi:10.1063/1.1765098]]
/J. Chem. Phys./ *121* (4), 17251735.
[[https://dx.doi.org/10.1063/1.1765098][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), 618624. [[doi:10.1021/ct1005938]]
/J. Chem. Theory Comput./ *7* (3), 618624.
[[https://dx.doi.org/10.1021/ct1005938][doi:10.1021/ct1005938]]