(1s 2 2s 2 2p 2 5p 1 ) 2 S Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 4.115519 | .29041624 |
| 2 | 3p | 2.075665 | -2.56066236 |
| 3 | 4p | 1.775616 | 6.52543983 |
| 4 | 5p | 1.707964 | -4.62730840 |
| 5 | 2p | 8.221105 | .04485845 |
| 6 | 5p | 24.793610 | -.00081875 |
| 7 | 4p | 1.395071 | -.24173465 |
| 8 | 4p | 36.248864 | -.00021906 |
| ORB.ENERGY,a.u. | -1.414200 | ||
| NORM | 1.000002 | < R > | 4.135057 | < R2 > | 19.221664 | < 1/R > | .348557 | < 1/R**2 > | .433386 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 31.339169 | .00023196 |
| 2 | 2p | 5.328541 | 1.15591992 |
| 3 | 3p | 6.312953 | -.18019990 |
| 4 | 2p | 13.995694 | .01945299 |
| 5 | 4p | 15.837713 | .00902357 |
| 6 | 5p | 21.400360 | -.00140478 |
| 7 | 5p | 3.658309 | .00014642 |
| ORB.ENERGY,a.u. | -12.583000 | ||
| NORM | 1.000000 | < R > | .446349 | < R2 > | .242277 | < 1/R > | 2.847856 | < 1/R**2 > | 11.049595 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.235101 | .39974321 |
| 2 | 2s | 5.921529 | -.84558946 |
| 3 | 3s | 6.124605 | -.27719628 |
| 4 | 4s | 22.969894 | .00229875 |
| 5 | 3s | 13.563919 | .01582003 |
| 6 | 5s | 6.107029 | -.02987220 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506733 | < R2 > | .301261 | < 1/R > | 2.884271 | < 1/R**2 > | 33.798904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161775 | .92627719 |
| 2 | 1s | 20.402423 | .07282228 |
| 3 | 2s | 12.149997 | .01941193 |
| 4 | 3s | 15.602770 | -.01547484 |
| 5 | 5s | 32.746138 | .00104732 |
| 6 | 4s | 78.282199 | -.00004145 |
| 7 | 5s | 10.338445 | .00043478 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110794 | < R2 > | .016465 | < 1/R > | 13.629739 | < 1/R**2 > | 374.434900 |
Total Energy= -252.85875962 a.u.
Kinetic Energy= 252.87592526 a.u.
Potential Energy= -505.73468488 a.u.
Virial Ratio = -1.99993212