exercises:2014_ethz_mmm:basis_sets
Differences
This shows you the differences between two versions of the page.
| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercise:basis_sets [2014/03/27 16:18] – [1.Step] sclelia | exercise:basis_sets [2014/03/28 14:56] – [Basis Sets] oschuett | ||
|---|---|---|---|
| Line 32: | Line 32: | ||
| 1 0 0 1 1 Set 1: lmin=0 ; lmax=0 (→ s functions!) ; 1 exponent ; 1 contraction | 1 0 0 1 1 Set 1: lmin=0 ; lmax=0 (→ s functions!) ; 1 exponent ; 1 contraction | ||
| 0.35 1 exponent1 of set 1 ; contraction | 0.35 1 exponent1 of set 1 ; contraction | ||
| - | 1 1 1 1 1 Set 2: lmin=1 ; lmax=1 (→ p functions!) ; 1 exponenet | + | 1 1 1 1 1 Set 2: lmin=1 ; lmax=1 (→ p functions!) ; 1 exponent |
| 0.6 1 | 0.6 1 | ||
| </ | </ | ||
| Line 125: | Line 125: | ||
| < | < | ||
| H 0 0 0 | H 0 0 0 | ||
| - | H 0.8 0 0 | + | H 0.75 0 0 |
| </ | </ | ||
exercises/2014_ethz_mmm/basis_sets.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1