Orbital-free density functional theory using higher-order finite differences
Density functional theory (DFT) is not only an accurate but also a widely used theory for describing the quantum-mechanical electronic structure of matter. In this approach, the intractable problem of interacting electrons is simplified to a tractable problem of non-interacting electrons moving in a...
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| Format: | Others |
| Language: | en_US |
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Georgia Institute of Technology
2015
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| Online Access: | http://hdl.handle.net/1853/53603 |