Weakly bound systems present a difficult problem for conventional atom-centred basis sets due to large separations, necessitating the use of large, computationally expensive bases. This can be remedie
We report electronic spectra of the Au−Ne complex, obtained in the vicinity of the Au atomic 6p ← 6s transition. The structured spectrum found near the 2P3/2 ← 2S1/2 transition is analyzed. We also ex
The resulting \emph{ab initio} point-wise functions are represented in a table format in the electronic supplemented material together with the molecular constants evaluated for all bound vibrational
2001 geometries of (10-phenylacridin-9(10H)-ylidene)malononitrile in xyz format and reference TDDFT (ωB97XD/def2-SVP) values for 30 excitation energies and oscillator strengths at each geometry. Geome
