Hartree-Fock intermediate neglect of differential overlap

On the basis of the optimized ground-slate geometries, we simulate the absorption speetra by combining the scmicmpirical Hartree-Fock Intermediate Neglect of Differential Overlap (INDO) Hamiltonian to a Single Configuration Interaction... 

The widespread application of MO theory to systems containing a bonds was sparked in large part by the development of extended Hiickel (EH) theory by Hoffmann (I) in 1963. At that time, 7r MO theory was practiced widely by chemists, but only a few treatments of a bonding had been undertaken. Hoffmann s theory changed this because of its conceptual simplicity and ease of applicability to almost any system. It has been criticized on various theoretical grounds but remains in widespread use today. A second approximate MO theory with which we are concerned was developed by Pople and co-workers (2) in 1965 who simplified the exact Hartree-Fock equations for a molecule. It has a variety of names, such as complete neglect of differential overlap (CNDO) or intermediate neglect of differential overlap (INDO). This theory is also widely used today. 

Hartree-Fock with Proper Dissociation Internally Consistent Self Consistent Orbitals Independent Electron Pair Approximation Intermediate Neglect of Differential Overlap Intermediate Retention of Differential Overlap Iterative Natural Orbital Ionization Potential... 

Methods DHF, Dirac-Hartreer-Fock DHFS, Dirac-Hartree-Fock-Slater HF, Hartree-Fock OCE, one-center expansion MS, multiple-scattering DV, discrete-variational QR, quasirelativistic INDO, intermediate neglect of differential overlap WHT, Wolfsberg-Helmholz QR-EHT, quasirelativistic two-component extended Httckel EHT, extended Hllckel. 

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