Structural and vibrational determination of small gallium-arsenide clusters from CCSD(T) and DFT calculations

Relative stabilities of GanAsm (n + m ⩽ 4), as well as their structural and vibrational properties, were computed and analysed using a CCSD(T) reference method since experimental data in this area are sparse or unknown. As further test, this model is used in order to investigate and revisit an experimental IR spectrum of GanAsm mixture previously published by Li et al.