Accurate Born-Oppenheimer Molecular Calculation with Explicitly Correlated Gaussian Function
The research over-viewed in this dissertation concerns very accurate variational calculations of the molecular systems with more than two electrons under the assumption of the Born-Oppenheimer (BO) approximation. The centerpiece of this research is the use of explicitly correlated Gaussian (ECG) bas...
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| Language: | en |
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The University of Arizona.
2012
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| Online Access: | http://hdl.handle.net/10150/265398 |