Include Grimme vDZP basis for wB97X-3c method

MolSSI-BSE · Aug 17, 2024 · 99cc8d4 · 99cc8d4
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diff --git a/basis_set_exchange/data/METADATA.json b/basis_set_exchange/data/METADATA.json
@@ -28494,6 +28494,118 @@
       }
     }
   },
+  "grimme vdzp": {
+    "display_name": "Grimme vDZP",
+    "other_names": [],
+    "description": "Small basis set used in wB97X-3c method",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "vdzp",
+    "relpath": "",
+    "family": "grimme",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_spherical",
+      "scalar_ecp"
+    ],
+    "auxiliaries": {},
+    "versions": {
+      "1": {
+        "file_relpath": "vdzp.1.table.json",
+        "revdesc": "Data from supporting information; re-added d-type ECP on F with vanishingly small coefficient to ensure basis is correctly parsed in all programs",
+        "revdate": "2024-08-17",
+        "elements": [
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+      }
+    }
+  },
   "hgbs-5": {
     "display_name": "HGBS-5",
     "other_names": [],

diff --git a/basis_set_exchange/data/REFERENCES.json b/basis_set_exchange/data/REFERENCES.json
@@ -3434,6 +3434,20 @@
     "year": "2000",
     "doi": "10.1002/(SICI)1097-461X(2000)76:2<205::AID-QUA10>3.0.CO;2-C"
   },
+  "mueller2023a": {
+    "_entry_type": "article",
+    "authors": [
+      "Müller, Marcel",
+      "Hansen, Andreas",
+      "Grimme, Stefan"
+    ],
+    "title": "ωB97X-3c: A composite range-separated hybrid DFT method with a molecule-optimized polarized valence double-ζ basis set",
+    "journal": "J. Chem. Phys.",
+    "volume": "158",
+    "pages": "014103",
+    "year": "2023",
+    "doi": "10.1063/5.0133026"
+  },
   "nash1997a": {
     "_entry_type": "article",
     "authors": [