Bound→free and bound→bound multichannel emission spectra from selectively excited Rydberg states in the ZnAr and CdAr van der Waals complexes

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“…Likewise, the contracted form of the ANO-R basis sets can be adjusted for individual needs, both by choosing different occupation number thresholds and by using different electronic states in the density-averaging. 550,551 On average, the ANO-R basis set is 10% smaller than ANO-RCC while maintaining a similar quality. However, it is important to note that the most common molecules that have to be treated with relativistic calculations, usually contain only one or two heavy elements, and all the rest is constructed from the light elements (but they also have to be described by relativistic basis set 552 ).…”

“…However, based on our work, both smaller and larger primitive basis sets can be easily constructed. Likewise, the contracted form of the ANO-R basis sets can be adjusted for individual needs, both by choosing different occupation number thresholds and by using different electronic states in the density-averaging. , …”

“…Likewise, the contracted form of the ANO-R basis sets can be adjusted for individual needs, both by choosing different occupation number thresholds and by using different electronic states in the density-averaging. 551 , 552 …”