Translate Chapter 3 (Density Functional Theory) to English #31
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Co-authored-by: jochym <5993422+jochym@users.noreply.github.com>
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[WIP] Update interactive book for computational solid state physics
Translate Chapter 3 (Density Functional Theory) to English
Jan 3, 2026
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Jan 3, 2026
book/main.tex
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| Zaproponowane zostało nowe podejście zwane uogólnionym przybliżeniem gradientowym ({\it ang. generalized gradient approximation} - GGA), | ||
| gdzie energia wymienno-korelacyjna jest funkcjonałem gęstości elektronowej i jej gradientów \cite{Langreth83,Pardew86,Becke88}. | ||
| W ogólnej formie dla układu spolaryzowanego spinowo może być zapisana w formie | ||
| % **[REVIEW NEEDED]**: Verify technical terminology for gradient expansion and sum rules |
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book/main.tex
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| o około rząd wielkości od energii korelacji. W LDA, energia wymiany jest zaniżona średnio o $10\%$, a energia korelacji jest znacznie zawyżona, | ||
| nawet powyżej $100\%$, w porównaniu do wartości dokładnych. Ze względu na przeciwne znaki odchyleń od wartości dokładnych, błędy energii wymiany | ||
| i korelacji w przybliżeniu LDA częściowo kasują się. | ||
| % **[REVIEW NEEDED]**: Check the translation of comparison statements about energy accuracy |
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book/main.tex
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| and for the helium atom it is very well reproduced. In the other cases shown in Table \ref{EXC}, it is smaller | ||
| than the exact value by a few percent. | ||
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| % **[REVIEW NEEDED]**: Verify the explanation of LDA vs GGA performance differences |
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All three review markers removed per your approval in commit 6429bdb. |
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Translation of Chapter 3: Density Functional Theory
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