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Autor:
Mark J. Boyd
Publikováno v:
American Journal of Physics. 45:881-882
Publikováno v:
The Journal of Chemical Physics. 67:1051
We report ab initio calculations of the energies and wavefunctions for the X 1Σ+g and b 3Σ−g states of C2 at several levels of accuracy. The best calculations, using a double‐zeta basis of Gaussian‐lobe functions and including dσ and dπ fun