Accurate Ab Initio Calculation of Molecular Constants
Molecular constants have been computed for the ground states 2∏ of 17OH and 1Σ of 107AgH+. The valence-bond method and advanced computational technique were used to perform all-electron ab initio calculation of molecular electronic structures. The basic idea behind the model is to introduce the mole...
| Main Authors: | , |
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| Format: | Online |
| Language: | English |
| Published: |
[Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology
1998
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4890945/ |