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Georgi Krastev
nomad-meta-info
Commits
dc26f44c
Commit
dc26f44c
authored
Jan 24, 2017
by
Angelo Ziletti
Browse files
Add atomic_valence_s_orbital and atomic_valence_p_orbital.
parent
8754b869
Changes
1
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meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json
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dc26f44c
...
...
@@ -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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