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.
Born–Oppenheimer type wavefunctions and the virial theorem for H2 + and D2 +
1.S. T. Epstein, J. Chem. Phys. 60, 147 (1974).
2.D. M. Bishop and R. Wetmore, Mol. Phys. 26, 145 (1973).
2. Also J. M. Peek, Sandia Corporation Research Report SCRR‐65‐77 (1965), (unpublished);
2.J. Chem. Phys. 43, 3004 (1965). The electronic wavefunctions given (somewhat implicitly) in these references are presumably of high accuracy. Indeed we have tested the electronic virial theorem (an essential ingredient in Ref. 1) at one point () and found it to be satisfied to a level of about
3.We attempted internal checking on our calculations by using several different techniques. Also we have checked that the nuclear virial theorem (used in Ref. 1) was satisfied to a level of about Finally we confirmed that our wavefunction reproduced, to sufficient accuracy, various high precision results in the literature. In particular it will be noted that our results for agree well with those which can be extracted from Table I of C. L. Beckel, B. D. Hansen, and J. M. Peek, J. Chem. Phys. 53, 3681 (1970).
4.If has the form where τ is a constant‐see, for example, W. Kolos, Adv. Quant. Chem. 5, 99 (1970)‐then
4.For the ground state [W. Kolos, Acta Phys. Acad. Sci. Hung. 27, 241 (1969)].
5.G. Hunter and H. O. Pritchard, J. Chem. Phys. 46, 2153 (1967).
Article metrics loading...
Full text loading...
Most read this month
Most cited this month