Theoretical study on the electronic states of NaLi.

  title={Theoretical study on the electronic states of NaLi.},
  author={Ioannis D. Petsalakis and Demeter Tzeli and Giannoula Theodorakopoulos},
  journal={The Journal of chemical physics},
  volume={129 5},
Configuration interaction calculations have been carried out on electronic states of the NaLi molecule and the cation NaLi(+). Potential energy curves are presented for the lowest nine (1)Sigma(+), seven (1)Pi, four (1)Delta, eight (3)Sigma(+), seven (3)Pi, and four (3)Delta states of NaLi as well as for the lowest ten (2)Sigma(+), six (2)Pi, and two (2)Delta states of NaLi(+). The results of the present many-electron configuration interaction calculations on the cation are in support of… CONTINUE READING

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