File:Carbon atom energy HF LDA exact.png
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DescriptionCarbon atom energy HF LDA exact.png |
English: Energy of the carbon atom (triplet ground state) as a function of the total number of electrons in the Hartree–Fock and LDA approximations. The exact behavior, as determined by the experimental ionization energy and electron affinity, is also shown.
Calculations were done with the d-aug-cc-pVQZ basis set. |
Date | |
Source | Own work |
Author | THEN WHO WAS PHONE? |
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I, the copyright holder of this work, release this work into the public domain. This applies worldwide. In some countries this may not be legally possible; if so: I grant anyone the right to use this work for any purpose, without any conditions, unless such conditions are required by law. |
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current | 03:06, 15 April 2009 | 3,200 × 2,400 (73 KB) | THEN WHO WAS PHONE? (talk | contribs) | {{Information |Description={{en|1=Energy of the carbon atom (triplet ground state) as a function of the total number of electrons in the Hartree–Fock and LDA approximations. The exact be |
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