I do not have a good basis understanding of basic chemistry so I am hoping to obtain an explanation that is as narrow as possible.

My current understanding of the semi-empirical method INDO is that

  1. it inherits the traditional assumption of the Hartree-Fock method through

    1.1 neglecting correlation effect

    1.2 the Born - Oppenheim assumption

    1.3 construct a wave function $|\psi\rangle_{\mathrm{HF}}$ using a Slater determinant chosen from one of $\bar{M}$ configurations that arose from $N$ electrons distributed over $K$ single-electron spatial orbitals

One can extend the Hartree-Fock method to a semi-empirical method of which a class is the INDO (Intermediate Neglect of Differential Overlap) method.

INDO assumes

  1. inherits the assumption of ZDO which assumes that product of basis function $\chi_{m}$ (describing single - electron spatial orbitals) are ignored.
  2. ignores all two-center two-electron integrals (this qualifies electron-electron interactions) except for Coulombic-type interactions.

In this way: INDO is suitable for systems exhibiting covalent and polar covalent bonding

My question: If electron-electron interactions are responsible for covalent and polar covalent bonding, why is INDO suitable for such systems?

  • $\begingroup$ After seeing this again, it might not gain much traction here. I think it's a good question and on topic here though. You might get an answer on Matter Modeling. We could migrate it there. Please raise a custom flag on the post. Please don't just ask the question there again unless you delete it here first. Cross-posting is not recommended across the network. $\endgroup$ Nov 8, 2023 at 20:15


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