mirror of
https://gitlab.com/scemama/eplf
synced 2024-12-22 04:14:17 +01:00
Update README
This commit is contained in:
parent
c443dfb4c5
commit
918d847826
@ -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), 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),
|
||||
"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.
|
||||
[[https://dx.doi.org/10.1021/ct1005938][doi:10.1021/ct1005938]]
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user