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Abstract. The spectroscopic parameters of the ground state of thallium hydride are obtained using the four-component relativistic DiracCoulombGauntcoupled-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...
Keywords:
RELATIVISTIC CALCULATIONS DIRAC HARTREE FOCK COUPLED-CLUSTER WAVEFUNCTION WITH SINGLE AND DOUBLE EXCITATIONS AND AN ESTIMATED TRIPLES CORRECTION TLH
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