Molecules

E elstat ref

E exch ref

E disp C-CCSD

E C-SP CT ( 1 2 )

E C-SP CT ( 2 1 )

Δ E int

Δ E disp C-CCSD / Δ E int

HL1∙∙∙Al

−1.3407

−0.0884

−0.0117

−0.0497

−0.0084

−1.4565

0.0080

HL2∙∙∙Al

−1.2968

−0.0868

−0.0119

−0.0483

−0.0084

−1.4113

0.0084

HL3∙∙∙Al

−1.3476

−0.0887

−0.0116

−0.0500

−0.0083

−1.4636

0.0079

HL4∙∙∙Al

−1.3465

−0.0886

−0.0116

−0.0499

−0.0083

−1.4625

0.0079

HL5∙∙∙Al

−1.3355

−0.0884

−0.0117

−0.0498

−0.0084

−1.4515

0.0081