Abstract
The spectroscopic parameters of the ground state of thallium hydride are obtained using the four-component relativistic Dirac–Coulomb–Gaunt–coupled-cluster wave function with single and double excitations and an estimated triples correction method. Core correlation effects make the bond weaker but have little effect on the bond length. Inclusion of the distance dependence of the Gaunt part of the two-electron Breit interaction has an opposite but smaller effect on these properties.
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