LCPQ/eplf
10
0
Fork 0
mirror of https://gitlab.com/scemama/eplf synced 2024-12-22 12:23:50 +01:00
Code Issues Releases Wiki Activity

Update README

Browse Source
This commit is contained in:
Anthony Scemama 2020-06-03 00:44:56 +02:00
parent c443dfb4c5
commit 918d847826
1 changed files with 4 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
README.org
View File

@ -91,11 +91,13 @@ Computes the Electron Pair Localization Function.
Scemama, A., Chaquin, P., Caffarel, M. (2004). Scemama, A., Chaquin, P., Caffarel, M. (2004).
"Electron pair localization function: A practical tool to visualize electron "Electron pair localization function: A practical tool to visualize electron
localization in molecules from quantum Monte Carlo data". 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.
[[https://dx.doi.org/10.1063/1.1765098][doi:10.1063/1.1765098]]
Scemama, A., Caffarel, M., Chaudret, R., & Piquemal, J.-P. (2011), Scemama, A., Caffarel, M., Chaudret, R., & Piquemal, J.-P. (2011),
"Electron Pair Localization Function (EPLF) for Density Functional "Electron Pair Localization Function (EPLF) for Density Functional
Theory and ab Initio Wave Function-Based Methods: A New Tool for Theory and ab Initio Wave Function-Based Methods: A New Tool for
Chemical Interpretation". Chemical Interpretation".
/J. Chem. Theory Comput./ *7* (3), 618–624. [[doi:10.1021/ct1005938]] /J. Chem. Theory Comput./ *7* (3), 618–624.
[[https://dx.doi.org/10.1021/ct1005938][doi:10.1021/ct1005938]]