Ro-vibrational Transition Energies and Absorption Intensities of the 1A1 States of H2O, He2O2+ and He2S2+

摘要: Variational ro–vibrational wave functions are calculated using an Eckart–Watson Hamiltonian, which has embedded ab initio potential energy function. These functions, together with dipole moment function, employed to predict transition energies and absorption intensities. The radiative probability integrals determined a novel adaptation of the Harris–Engerholm–Gwinn integration scheme. method solution algorithm yields results in excellent agreement previously experimental theoretical electric allowed transitions for 1 A ground state H 2 O. also been applied states helide analogs water, namely He O 2+ S , order their intensities, thereby facilitating possible interstellar detection.