In: Chemistry
The Born- Oppenheimer approximation is that the separation of electronic motion and nuclear motion.
ᴪ molecule = ᴪ electrons X ᴪ nuclei
It is used to calculate bond length energy between molecules.
It is used to calculate separation between nucleus and electron their wave function.
It is used to examine molecule energy relation to bond length.
Molecular orbital is a wave like molecular structure which determines electrons in a molecule. Electrons having atoms, combination of atomic orbitals is called molecular orbital.
The quantitative measurement of overlapping of 2 atomic orbitals
S = φ1 φ2 .dτ
The probability of one electron and another electron orbitals, there is a coulombic interaction between 2 electronic atoms due to the reason that integral is called coulomb integral.
In coulombic integral 2 electrons are involved one is positive energy and another one is negative energy. So, for destabilization coulombic repulsion between 2 electrons is called exchange integral.