Added reference for the energy cutoff smearing (#754)

Co-authored-by: Michael F. Herbst <[email protected]>

CITATION.bib

@@ -23,7 +23,7 @@ @unpublished{BlowupCHV
   author = {Cancès, Eric and Hassan, Muhammad and Vidal, Laurent Vidal},
   title = {Modified-Operator Method for the Calculation of Band Diagrams of Crystalline Materials},
   year = {Submitted},
-  note = {https://hal.archives-ouvertes.fr/hal-03794000/},
+  note = {https://arxiv.org/abs/2210.00442},
 }
 
 % Paper describing the adaptive damping strategy implemented by

docs/src/publications.md

@@ -27,9 +27,9 @@ Additionally the following publications describe DFTK or one of its algorithms:
   ([Supplementary material and computational scripts](https://github.com/gkemlin/response-calculations-metals)).
 
 - E. Cancès, M. Hassan and L. Vidal.
-  [*Modified-Operator Method for the Calculation of Band Diagrams of Crystalline Materials.*](https://hal.archives-ouvertes.fr/hal-03794000)
+  [*Modified-Operator Method for the Calculation of Band Diagrams of Crystalline Materials.*](https://arxiv.org/abs/2210.00442)
   (Submitted).
-  [hal-03794000](https://hal.archives-ouvertes.fr/hal-03794000).
+  [ArXiv:2210.00442](https://arxiv.org/abs/2210.00442).
 
 - M. F. Herbst and A. Levitt.
   [*A robust and efficient line search for self-consistent field iterations*](https://arxiv.org/abs/2109.14018)

examples/energy_cutoff_smearing.jl

@@ -66,8 +66,14 @@ plot!(p, a_list, E0_ref, label="Ecut=100", color=2)
 # Another method consist in introducing a modified kinetic term defined through
 # the data of a blow-up function, a method which is also referred to as "energy cutoff
 # smearing". DFTK features energy cutoff smearing using the CHV blow-up
-# function introduced in [REF of the paper to be submitted],
-# that is mathematically ensured to provide ``C^2`` regularity of the energy bands.
+# function introduced in [^CHV2022] that is mathematically ensured to provide ``C^2``
+# regularity of the energy bands.
+#
+# [^CHV2022]:
+#    Éric Cancès, Muhammad Hassan and Laurent Vidal
+#    *Modified-operator method for the calculation of band diagrams of
+#    crystalline materials*, 2022.
+#    [arXiv preprint.](https://arxiv.org/abs/2210.00442)
 
 # Let us lauch the computation again with the modified kinetic term.
 E0_modified = compute_ground_state_energy.(a_list; kinetic_blowup=BlowupCHV(), Ecut, kgrid,);

src/terms/kinetic.jl

@@ -54,7 +54,7 @@ struct BlowupIdentity end
 
 
 """
-Blow-up function as proposed in https://hal.archives-ouvertes.fr/hal-03794000
+Blow-up function as proposed in https://arxiv.org/abs/2210.00442
 The blow-up order of the function is fixed to ensure C^2 regularity of the energies bands
 away from crossings and Lipschitz continuity at crossings.
 """