All-electron basis-set Dirac-Fock calculations for the lowest-lying ¹Σ⁺ state of the AgH molecule are reported. The Dirac-Coulomb Hamiltonian for point nuclei and kinetically balanced four-component spherical spinor basis functions are used. The large-component radial variation is of Gaussian form, r^ne-ξr², with {ξ} an element of the increasing geometric sequence a,ab,ab²,... . An (uncorrelated) ground-state energy of -5315.1083 hartrees is obtained; the corresponding bond length and dissociation energy are, respectively, 1.6908 {} and 0.0529 hartrees (1.44 eV). {} 1996 The American Physical Society.
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Mohanty et al. (1996) studied this question.
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