Commit dc26f44c authored by Angelo Ziletti's avatar Angelo Ziletti

Add atomic_valence_s_orbital and atomic_valence_p_orbital.

parent 8754b869
......@@ -101,6 +101,29 @@
],
"units": "J"
},
{
"description": "Energy of the valence s orbital for a free atom.",
"dtypeStr": "f",
"name": "atomic_valence_s_orbital",
"shape": [],
"shortname": "E_s",
"superNames": [
"section_atomic_property"
],
"units": "J"
},
{
"description": "Energy of the valence p orbital for a free atom.",
"dtypeStr": "f",
"name": "atomic_valence_p_orbital",
"shape": [],
"shortname": "E_p",
"superNames": [
"section_atomic_property"
],
"units": "J"
},
{
"description": "Difference between highest occupied and lowest unoccupied single-particle state energy for free atom.",
"dtypeStr": "f",
......
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