In the explicitly-unsolvable Hamiltonian for a chemical system, approximations are made to solve the energy of the system. In particular we see CNDO (ZDO), INDO and MNDO theories.(adsbygoogle = window.adsbygoogle || []).push({});

CNDO - complete neglect of differential overlap; two-center electron integrals are zero.

INDO - intermediate neglect of differential overlap

MNDO - modified neglect of differential overlap

So CNDO is easy, if orbitals arent on the same atom their integral is zero. What about INDO and MNDO? What integrals are included in INDO that arent included in CNDO? What integrals are included in MNDO that arent included in INDO? How are these integrals evaluated (parametrized)?

**Physics Forums - The Fusion of Science and Community**

The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

# Overlap integrals in chemical molecules

Loading...

Similar Threads - Overlap integrals chemical | Date |
---|---|

<U|V> overlap integral of two many-electron determinant wave functions | Sep 5, 2014 |

Caculating SAB overlap of two Kohn-Sham determinants | Sep 4, 2014 |

Conductor band overlap definition question | Jul 15, 2014 |

Overlap of Orbitals | Jun 9, 2010 |

Merging of overlapped XPS spectra with CASA ( tech. Help needed ) | Mar 12, 2010 |

**Physics Forums - The Fusion of Science and Community**