Merge pull request #181 from susilehtola/koga_basis

Include unpolarized basis sets for H-Lr from Koga et al, 2000
MolSSI-BSE · Jan 29, 2021 · 32721c8 · 32721c8
2 parents 62dd345 + af99688
commit 32721c8
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diff --git a/basis_set_exchange/data/METADATA.json b/basis_set_exchange/data/METADATA.json
@@ -27937,6 +27937,134 @@
       }
     }
   },
+  "koga unpolarized": {
+    "display_name": "Koga unpolarized",
+    "other_names": [],
+    "description": "Non-relativistic unpolarized basis sets for atomic calculations, designed for use in uncontracted form",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "koga_atomic",
+    "relpath": "",
+    "family": "koga",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_spherical"
+    ],
+    "auxiliaries": {},
+    "versions": {
+      "1": {
+        "file_relpath": "koga_atomic.1.table.json",
+        "revdesc": "Data from Tatewaki's website",
+        "revdate": "2021-01-28",
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+  },
   "lanl08": {
     "display_name": "LANL08",
     "other_names": [],

diff --git a/basis_set_exchange/data/REFERENCES.json b/basis_set_exchange/data/REFERENCES.json
@@ -2627,6 +2627,20 @@
     "year": "1999",
     "doi": "10.1007/s002140050479"
   },
+  "koga2000a": {
+    "_entry_type": "article",
+    "authors": [
+      "Koga, Toshikatsu",
+      "Tatewaki, Hiroshi",
+      "Shimazaki, Tsuyoshi"
+    ],
+    "title": "Chemically reliable uncontracted Gaussian-type basis sets for atoms H to Lr",
+    "journal": "Chem. Phys. Lett",
+    "volume": "328",
+    "pages": "473-482",
+    "year": "2000",
+    "doi": "10.1016/S0009-2614(00)00948-9"
+  },
   "koga2002a": {
     "_entry_type": "article",
     "authors": [