Ab initio molecular simulations with numeric atom-centered orbitals (Q711800)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Ab initio molecular simulations with numeric atom-centered orbitals |
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Ab initio molecular simulations with numeric atom-centered orbitals (English)
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28 October 2010
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ab initio molecular simulations
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density-functional theory
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atom-centered basis functions
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Hartree-Fock
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MP2
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\(O(N)\) DFT
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\(GW\) self-energy
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