Electronic structure and second hyperpolarizability of M(NA2)2 (MÂ =Â Be, Mg, Ca; AÂ =Â H, Li, Na) complexes

- Structure and second-hyperpolarizability of M(NA2)2 (M = Be, Mg, Ca; A = H, Li, Na) complexes.
- The maximum stability has been predicted for the Be(NH2)2 complex.
- The free energy of formation of Be(NA2)2 (A = Li, Na) complexes are substantially negative.
- Second-hyperpolarizability enhances appreciably when alkali metal replaces H atoms of hydraizne.
- Magnitude of two photon term of second-hyperpolarizability is much larger than the one photon term.