The adiabatic potential energy curves for ground and many excited states of ^{1, 3}Σ⁺, ^1,3Π, ^1,3Δ symmetries of the LiNa molecule have been performed. We have used an ab initio approach based on non-empirical pseudopotentials, parameterised l-dependent polarisation potentials and full configuration interaction calculations. In addition, the adiabatic potential energy curves determined in our previous work [Mabrouk and Berriche, J. Phys. B: At. Mol. Opt. Phys. 41, 155101 (2008).] are corrected by using a diabatisation procedure, based on the effective Hamiltonian theory and an effective metric. The diabatic permanent moments for first 10 ¹Σ⁺ electronic states show linear behaviours, especially at intermediate and large distance. The transition dipole moment between neighbour states has revealed many peaks located around the avoided crossing positions. The radial coupling between the adiabatic states was calculated using the Hellmann-Feynman formula and numerical differentiation of the rotation matrix. The first and the second derivatives revealed many peaks, associated to neutral-neutral and ionic-neutral crossings. Furthermore, the radial coupling is used to evaluate the adiabatic correction, which is found to be of an order of tens and hundreds of cm⁻¹, especially of higher excited states. In addition, we have determined the vibrational level spacing for all studied states.

The thermal variable conductivity of a rotator semiconductor elastic medium is investigated. The medium is exposed to beams of light and an initial external magnetic field during a diffusion process. The governing equations cover the overlapping between the wave propagations of mechanical, thermal, plasma and mass diffusion distributions. The reflection wave will be obtained in the context of the thermoelasticity theory and photothermal theory. The harmonic wave analysis is used to obtain the coefficient ratios of reflection analytically of the incident wave (CI) and incident rotational wave. On the free surface of the semiconductor medium, some mechanical, plasma and thermal loads are applied to observe the physical quantities of this phenomenon. The different values of the amplitude of reflection coefficient ratios and the incidence angle are obtained numerically and shown graphically. The comparisons between the obtained results will be studied under the influence of the magnetic field, the variable thermal conductivity and rotation.