Accurate Non-Born--Oppenheimer Variational Calculations of Small Molelcular Systems
The research overviewed in this dissertation concerns highly accurate variational calculations of small molecular systems without assuming the Born--Oppenheimer approximation. The centerpiece of the research is the use of different forms of explicitly correlated Gaussian basis functions. These basi...
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| Language: | EN |
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The University of Arizona.
2006
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| Online Access: | http://hdl.handle.net/10150/195342 |