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Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method [1985]

1
The LCAO model
11
Hartree-Fock total energy
17
Density functional theory
36
Total energy of molecules and atoms
47
Atoms
76
Molecules
87
Solving the Schrödinger equation
103
Ionization and photoelectron spectroscopy
142
Excitation and UV spectroscopy
187
Negative ions and electron affinities
219
Studies of 1s electrons
235
Shake up in PES and EA
272
Total energy
277
Dipole moments
280
Chemical reactions
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