OrnaVerum
v 6.20.00
20 Mar 2021
updated 8 Jul 2021
SectionTitlePage
1.01Introduction1, 2
1.02Molecular Orbitals3, 4
1.03Molecular Terms5, 6, 7
1.04Exchange Degeneracy8, 9, 10, 11, 12, 13
1.05Spin Degeneracy14, 15, 16, 17
1.06Orbital Degeneracy18, 19, 20
1.07Real vs Complex21, 22, 23
1.08Hartree Fock Equations24, 25, 26
1.09Roothaan Equations27, 28
1.10Population Matrix29, 30
1.11Roothaan Invariance31, 32
1.12Molecular Symmetry33, 34, 35, 36, 37
1.13Configuration Interaction38, 39, 40, 41, 42, 43, 44
1.14Core-Valence Separation45, 46, 47, 48, 49, 50
1.15NDO Approximations51, 52, 53, 54, 55, 56, 57, 58, 59
References 160, 61, 62