the ultraviolet-visible (uv) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. the electric dipole moments and polarizabilities in the molecular excited electronic states were determined. it was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...

time-dependent schrödinger equation for a 1-d model of hydrogen molecular ion h2+ in intenselaser field linearly polarized along the molecular axis is solved. ionization rates are calculated for differentinitial states. the evolution of electronic wavefunction at fixed inter-nuclear separations are simulated andanalyzed. the results obtained for the ground state of this 1-d model of h2+ show ap...

Vibration-rotation and pure rotational data in the X2Σ+ ground state and electronic data from the A2Π – X2Σ+ and B2Σ+ − X2Σ+ transitions of CaH and CaD were used in the quantum-mechanical direct-potential-fit (DPF) analysis to determine an analytic potential energy function for the X2Σ+ ground state of CaH, and a radial correction function for the CaD isotopologue. The potential energy function...

The Ultraviolet-visible (UV) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. The electric dipole moments and polarizabilities in the molecular excited electronic states were determined. It was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...

the high pressure behavior of the structural and electronic properties of kc1 is studied with use of the density functional pseudopotential method within local-density approximation. atzero pressure, the rocksalt phase is found to be lower in energy than cscl structure. however, we predict a phase transition into csci structure at a pressure of about 1.5 gpa. the calculated ground state propert...