Photoisomerization about carbon—nitrogen double bonds. I. Kinetic and potential energy for ground and excited states of methylenimine

Potential energy curves for ground and e

Potential energy curves for ground and excited states of NaLi from ab initio calculations with effective core polarization potentials

✍ I. Schmidt-Mink; W. Müller; W. Meyer 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 693 KB

Sixteen low-lying electronx states of NaLi arc investigated by SCF/~alence CI calculations including core polarization effects by means of an effective potential. Spectroscopic constants arc obtained with estimated uncertainties of AR, G 0.01 A, awe E 0.6 cm-' and nD, < 80 cm-' \_ f-rom a comparison