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| Both sides previous revision Previous revision Next revision | Previous revision | ||
| properties_and_expectation_values [2025/08/28 11:33] – simplify doll | properties_and_expectation_values [2026/02/03 13:14] (current) – doll | ||
|---|---|---|---|
| Line 269: | Line 269: | ||
| ci; | ci; | ||
| pop; | pop; | ||
| + | </ | ||
| + | |||
| + | In the following example, the population for charge and spin is computed: | ||
| + | |||
| + | <code - examples/ | ||
| + | geometry={li} | ||
| + | basis=vdz | ||
| + | hf | ||
| + | pop; | ||
| + | pop; | ||
| </ | </ | ||
| Line 475: | Line 485: | ||
| {hf} | {hf} | ||
| - | !use first analytial | + | !use first analytical |
| fpol, | fpol, | ||