<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>
doi: 10.1063/1.436384
Weinhold’s formula for the upper and lower bounds to transition moments is extended to include transitions between states of the same symmetry. Chong’s semirigorous expression for the lower bound to the overlap between the approximate and the true wavefunctions is studied and applied to the calculation of error limits for the dipole moments and transition moments of LiH at R=3.015 bohr. With high-quality wavefunctions, the results are: μ (X 1Σ+) =5.836±0.262 D; μ (A 1Σ+) =−5.078±0.344 D; w (X 1Σ+) =0.94 (+0.13, −0.18); w (X 1Σ+−B 1Π) =1.29±0.23 ea0; and w (A 1Σ+−B 1Π) =1.82±0.24 ea0.
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 11 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |