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molecular_geometry [2022/03/16 07:38] doll [Example: two different masses for hydrogen in HD] |
molecular_geometry [2022/03/16 08:57] (current) doll [Example: two different masses for hydrogen in HD] |
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==== Example: two different masses for hydrogen in HD ==== | ==== Example: two different masses for hydrogen in HD ==== | ||
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+ | In analogy to defining two different basis sets for the same element (see [[basis input# | ||
<code - examples/ | <code - examples/ |