Spin-orbit and relativistic all-electron potential energy curves for the ground and low-lying excited states of AgAuElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp52647j
The spin-free and spin-orbit potential energy curves of ground and excited states of AgAu up to 5 eV have been investigated. Calculations have been performed at the all-electron level with scalar relativistic effects included through the second-order Douglas-Kroll-Hess Hamiltonian. We have used the...
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