Add Jorge DZP-ZORA & TZP-ZORA

MolSSI-BSE · Dec 3, 2024 · 3e34fcf · 3e34fcf
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diff --git a/basis_set_exchange/data/METADATA.json b/basis_set_exchange/data/METADATA.json
@@ -34166,6 +34166,106 @@
       }
     }
   },
+  "jorge-dzp-zora": {
+    "display_name": "jorge-DZP-ZORA",
+    "other_names": [],
+    "description": "DZP-ZORA: All-electron double zeta valence quality plus polarization functions (ZORA)",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "jorge-DZP-ZORA",
+    "relpath": "",
+    "family": "jorge",
+    "role": "orbital",
+    "function_types": [
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+      "gto_cartesian"
+    ],
+    "auxiliaries": {},
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   "jorge-qzp": {
     "display_name": "jorge-QZP",
     "other_names": [],
@@ -34824,6 +34924,52 @@
       }
     }
   },
+  "jorge-tzp-zora": {
+    "display_name": "jorge-TZP-ZORA",
+    "other_names": [],
+    "description": "TZP-ZORA: All-electron triple zeta valence quality plus polarization functions (ZORA)",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "jorge-TZP-ZORA",
+    "relpath": "",
+    "family": "jorge",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_cartesian"
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+    }
+  },
   "jul-cc-pv(d+d)z": {
     "display_name": "jul-cc-pV(D+d)Z",
     "other_names": [],

diff --git a/basis_set_exchange/data/REFERENCES.json b/basis_set_exchange/data/REFERENCES.json
@@ -689,6 +689,22 @@
     "title": "ccRepo: A correlation consistent basis sets repository",
     "note": "http://www.grant-hill.group.shef.ac.uk/ccrepo/"
   },
+  "centoducatte2022a": {
+    "_entry_type": "article",
+    "authors": [
+      "Centoducatte, R.",
+      "de Oliveira, A. Z",
+      "Jorge, F. E.",
+      "Camiletti, G. G."
+    ],
+    "title": "ZORA double zeta basis sets for fifth row elements: Application in studies of electronic structures of atoms and molecules",
+    "journal": "Comput. Theor. Chem.",
+    "volume": "1207",
+    "pages": "113511",
+    "year": "2022",
+    "doi": "10.1016/j.comptc.2021.113511"
+
+  },
   "ceolin2013a": {
     "_entry_type": "article",
     "authors": [
@@ -3715,6 +3731,49 @@
     "year": "2013",
     "doi": "10.1016/j.cplett.2013.07.045"
   },
+  "neto2021a": {
+    "_entry_type": "article",
+    "authors": [
+      "Neto, Antônio Canal",
+      "de Oliveira, Amanda Z.",
+      "Jorge, Francisco Elias",
+      "Camiletti, Giuseppi G."
+    ],
+    "title": "ZORA all-electron double zeta basis sets for the elements from H to Xe: application in atomic and molecular property calculations",
+    "journal": "J. Mol. Model.",
+    "volume": "27",
+    "pages": "232",
+    "year": "2021",
+    "doi": "10.1007/s00894-021-04847-5"
+  },
+  "neto2022a": {
+    "_entry_type": "article",
+    "authors": [
+      "Neto, Antônio Canal",
+      "Jorge, Francisco Elias",
+      "Gomes, Thieberson"
+    ],
+    "title": "ZORA Gaussian basis sets for Fr, Ra, and Ac",
+    "journal": "J. Mol. Model.",
+    "volume": "28",
+    "pages": "334",
+    "year": "2022",
+    "doi": "10.1007/s00894-022-05331-4"
+  },
+  "neto2023a": {
+    "_entry_type": "article",
+    "authors": [
+      "Neto, Antônio Canal",
+      "Jorge, Francisco Elias",
+      "da Cruz, Henrique R. C."
+    ],
+    "title": "All-electron ZORA triple zeta basis sets for the elements Cs-La and Hf-Rn",
+    "journal": "Chin. Phys. B",
+    "volume": "32",
+    "pages": "093101",
+    "year": "2023",
+    "doi": "10.1088/1674-1056/acbe34"
+  },
   "nicklass1995a": {
     "_entry_type": "article",
     "authors": [

diff --git a/basis_set_exchange/data/jorge-DZP-ZORA.1.table.json b/basis_set_exchange/data/jorge-DZP-ZORA.1.table.json
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diff --git a/basis_set_exchange/data/jorge-DZP-ZORA.metadata.json b/basis_set_exchange/data/jorge-DZP-ZORA.metadata.json
@@ -0,0 +1,14 @@
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+}
diff --git a/basis_set_exchange/data/jorge-TZP-ZORA.1.table.json b/basis_set_exchange/data/jorge-TZP-ZORA.1.table.json
@@ -0,0 +1,31 @@
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diff --git a/basis_set_exchange/data/jorge-TZP-ZORA.metadata.json b/basis_set_exchange/data/jorge-TZP-ZORA.metadata.json
@@ -0,0 +1,14 @@
+{
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+  "family": "jorge",
+  "description": "TZP-ZORA: All-electron triple zeta valence quality plus polarization functions (ZORA)",
+  "role": "orbital",
+  "auxiliaries": {}
+}