Intermediate Neglect of Differential Overlap

ZINDO/I is based on a modified version of the intermediate neglect of differential overlap (INOOh which was developed by Michael /ern cr of the Quan turn Th cory Project at th e Lin iversity oIFIorida. Zerner s original IXDO/1 used the Slater orbital exponents with a distance dependence for the first rorv transition metals only. (See Thvorel. Chirn. Ada (Bed.) 53, 21-54 (1979).) However, in HyperChem con stan I orbital expon en ts are used for all the available elements, as recommended by. Anderson, Kdwards, and /.erner, /norg. Chern. 25, 2728-2732,1986,... 

Highest occupied molecular orbital Intermediate neglect of differential overlap Linear combination of atomic orbitals Local density approximation Local spin density functional theory Lowest unoccupied molecular orbital Many-body perturbation theory Modified INDO version 3 Modified neglect of diatomic overlap Molecular orbital Moller-Plesset... 

V. Intermediate Neglect of Differential Overlap. Journal of Chemical Physics 47 2026-2033. pie J A, D P Santry and G A Segal 1965. Approximate Self-Consistent Molecular Orbital Theory. I. 

There are three modihed intermediate neglect of differential overlap (MINDO) methods MINDO/1, MINDO/2, and MINDO/3. The MINDO/3 method is by far the most reliable of these. This method has yielded qualitative results for organic molecules. However its use today has been superseded by that of more accurate methods such as Austin model 1 (AMI) and parameterization method 3 (PM3). MINDO/3 is still sometimes used to obtain an initial guess for ah initio calculations. 

The intermediate neglect of differential overlap (INDO) method was at one time used for organic systems. Today, it has been superseded by more accurate methods. INDO is still sometimes used as an initial guess for ah initio calculations. 

MINDO (modified intermediate neglect of differential overlap) a semiempirical method... 

The INDO (Intermediate Neglect of Differential Overlap) differs from CNDO in the treatment of one-center exchange integrals. The CNDO (Complete Neglect of Differential Overlap) treatment retains only the two-electron integrals (p.p. vv) = The Yj y are... 

Structure. The straiued configuration of ethylene oxide has been a subject for bonding and molecular orbital studies. Valence bond and early molecular orbital studies have been reviewed (28). Intermediate neglect of differential overlap (INDO) and localized molecular orbital (LMO) calculations have also been performed (29—31). The LMO bond density maps show that the bond density is strongly polarized toward the oxygen atom (30). Maximum bond density hes outside of the CCO triangle, as suggested by the bent bonds of valence—bond theory (32). The H-nmr spectmm of ethylene oxide is consistent with these calculations (33). 

Pople, Beveridge and Dobosh introduced the intermediate neglect of differential overlap model (INDO) in 1967. INDO is CNDO/2 with a more realistic treatment of the one-centre two-electron integrals. In the spirit of such models, the non-zero integrals were calibrated against experiment rather than being calculated fi om first principles. The authors concluded that, although INDO was a little better than... 

More sophisticated procedures involve taking the start MO coefficients from a semi-empirical calculation, such as Extended HUckel Theory (EHT) or Intermediate Neglect of Differential Overlap (INDO) (Sections 3.12 and 3.9). The EHT method has the advantage that it is readily parameterized for all elements, and it can provide start orbitals for systems involving elements from essentially the whole periodic table. An INDO calculation normally provides better start orbitals, but at a price. The INDO... 

Intermediate Neglect of Differential Overlap Approximation (INDO)... 

Three versions of Modified Intermediate Neglect of Differential Overlap (MINDO) models exist, MINDO/1, MINDO/2 and MINDO/3. The first two attempts at parameterizing INDO gave quite poor results, but MINDO/3, introduced in 1975, produced the first general purpose quantum chemical method which could successfully... 

Excited-state wavefunction analyses arc carried out in the framework of the Intermediate Neglect of Differential Overlap/Single Configuration Interaction (INDO/ SCI) technique to characterize the properties of the photogenerated electron-hole pairs. The SCI wavefunction writes ... 

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... 

Ridley J, Zemer M (1973) Intermediate neglect of differential overlap (INDO) technique for spectroscopy pyrrole and the azines. Theor Chim Acta(Berl) 32 111-134... 

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