Convergence of the electronic density for a target region in cluster models of a \(\mathrm{NH}_3\) molecular crystal (Q2688446)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Convergence of the electronic density for a target region in cluster models of a \(\mathrm{NH}_3\) molecular crystal |
scientific article |
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Convergence of the electronic density for a target region in cluster models of a \(\mathrm{NH}_3\) molecular crystal (English)
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3 March 2023
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electronic density
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Hartree-Fock
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coupled cluster
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cluster model
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molecular crystal
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local properties
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local orbitals
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