Molecules

Gas phase

Water

HOMO- LUMO gap

χ (eV)

η (eV)

s

ω (eV)

HOMO-LUMO gap

χ (eV)

Η (eV)

s

ω (eV)

20

6.855

3.427

4.021

0.124

1.46

4.872

3.414

2.436

0.205

2.393