howto:cdft
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howto:cdft [2018/11/02 12:51] – [Example: Configuration interaction calculations with CDFT (CDFT-CI): The case of $\mathrm{H}_2^+$] nholmber | howto:cdft [2020/08/21 10:15] – external edit 127.0.0.1 | ||
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In the above example input file, a common file '' | In the above example input file, a common file '' | ||
- | The keyword [[inp> | + | The keyword [[inp> |
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+ | The keyword [[inp> | ||
+ | |||
+ | A special run type is available for '' | ||
==== Example: Electronic coupling of Zn cation dimer ==== | ==== Example: Electronic coupling of Zn cation dimer ==== |
howto/cdft.txt · Last modified: 2024/01/03 13:20 by oschuett