Quantum-and-Chemical Computation of Molecular Constants for Ground and Excited Electron States of Mixed Atom Dimers for Transition Metals of First Group of Periodic Table

The quantum-and-chemical method has been applied in computing the molecular constants for ground and excited electron states of molecules CuAg and CuAu. Wave functions and oscillation energies required for the computation are obtained in solving the radial wave equation based on the potential Morse function. The computed oscillation, rotary and centrifugal constants are compared with experimental results.