No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Open‐Shell Wave Functions for Conjugated Hydrocarbons
1.J. R. Hoyland and L. Goodman, J. Chem. Phys. 33, 946 (1960).
2.C. C. J. Roothaan, Revs. Modern Phys. 32, 179 (1960).
3.R. Pariser and R. G. Parr, J. Chem. Phys. 21, 466 (1953);
3.R. Pariser and R. G. Parr, 21, 767 (1953)., J. Chem. Phys.
4.B. Grabe, Arkiv Fysik 17, 97 (1960).
5.R. Lefebvre, J. Chim. Phys. 54, 168 (1957);
5.H. Brion, R. Lefebvre, and C. Moser, J. Chim. Phys. 54, 363 (1957); , J. Chim. Phys. Phys.-Chim. Biol.
5.R. Lefebvre, Calcul des Fonctions D’Onde Moleculaire (International Colloquium at the National Center of Scientific Research, Paris, 1958), p. 95.
6.J. A. Pople and R. K. Nesbet, J. Chem. Phys. 22, 571 (1954).
7.Adams and Lykos have communicated that they have carried out open‐shell SCF calculations on a perturbed trans‐butadiene system.
8.C. C. J. Roothaan, Revs. Modern Phys. 23, 69 (1951).
9.Caution must be used in interpreting the changes in the MO’s since Roothaan’s method determines these uniquely only up to two unitary transformations which transform MO’s of the same symmetry among themselves in the closed and open sets separately. Thus the changes in the MO’s and in Table I cannot be absolutely interpreted.
Article metrics loading...
Full text loading...
Most read this month
Most cited this month