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TABLE 3.9 The Hartree-Fock, B3LYP, SVWN, and BP86/6-31G Chemical Hardness Computations for the [CHjO]" Molecule by Using Orbital Energies and Vertical Total Energies for Ionization Potential and Electron Affinity Calculation, Respectively IRHT=intemaUy resolved hardness tensor, H/L=HOMO/LUMO (Putz et al., 2004)... [Pg.319]

See other pages where Chemical hardness orbital tensor is mentioned: [Pg.300] [Pg.322] [Pg.110] [Pg.274] [Pg.118]

See also in sourсe #XX -- [ Pg.275 , Pg.276 , Pg.277 , Pg.278 ]