Raw potntial energy data points in folders:
./SI_N2_RVE/
MRCIS/PECMR-CIS data.
MRCISD/PECMR-CISD
MRCISD/PEC_pople_correctedMR-CISD+Q data.
XMS-CASPT2/PECXMS-CASPT2 data
NACCT-3S3P3D-GH1D/PECWith basis: N: aug-cc-pVTZ+[3s3p3d], Gh:1D
NCCT-2S5P2D-GH1D/PECWith basis: N: cc-pVTZ+[2s5p2d], Gh:1D