Skip to main content

Benchmark Assessment Repository: Excitations

Benchmark Assessment Repository: Excitations

COMPLETE SETS (COMPRESSED FILES)
Excitations in Polyacetylene and PolyyneZIPTAR.GZ
INDIVIDUAL FILES

CAM-B3LYP 6-31G* Geometries.

MoleculesMolecules
PA-2PY-2
PA-3PY-3
PA-4PY-4
PA-5PY-5
PA-6PY-6
PA-7PY-7
PA-8PY-8
PA-9PY-9
PA-10PY-10
PA-11PY-11
PA-12PY-12
PA-13PY-13
PA-14
PA-15
PA-16
PA-17
PA-18
PA-19
PA-20