We have studied the potential energy curves (PECs) for1Σ+ electronic states of HfH+ and PtH+ molecular ions using the self-consistent field (SCF) method and the coupled-cluster method with single and double excitations (CCSD). The spectroscopic constants derived from these potential energy curves are reported and compared with the available calculations in the literature. Further, the permanent dipole moment (PDM) of these molecular ions are calculated using the finite-field approach by applying a weak external electric field in the perturbative regime. Furthermore, vibrational parameters are obtained by solving the vibrational Schrödinger equation numerically.
CITATION STYLE
Bala, R., Nataraj, H. S., & Abe, M. (2019). Spectroscopic Studies of1Σ+ States of HfH+ and PtH+ Molecular Ions. In Springer Proceedings in Physics (Vol. 230, pp. 191–198). Springer. https://doi.org/10.1007/978-981-13-9969-5_18
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