Mulliken bond orders

Definition:

n_i- the occupation number of the i-th MO

 - MO coefficients for atomic orbitals m andn

References:

1. I.G. Csizmadia, Theory and Practice of MO Calculations on Organic Molecules, Elsevier, Amsterdam, 1976.

2. A.B. Sannigrahi, Adv. Quant. Chem., 1992, 23, 301-351.