(1s 2 2s 2 2p 3 4d 1 ) 5 D Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 4d- electron | |
| 1 | 3d | 2.084834 | 1.16723987 |
| 2 | 4d | 1.786097 | -1.73478632 |
| 3 | 3d | 5.878592 | .04785375 |
| 4 | 4d | 4.286153 | .05266502 |
| 5 | 5d | 19.479018 | -.00017850 |
| ORB.ENERGY,a.u. | -1.608100 | ||
| NORM | 1.000000 | < R > | 2.824881 | < R2 > | 9.165707 | < 1/R > | .475954 | < 1/R**2 > | .385097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.237871 | 1.36843552 |
| 2 | 3p | 6.693754 | -.46347829 |
| 3 | 4p | 8.217474 | .09063758 |
| 4 | 5p | 23.992107 | -.00253607 |
| 5 | 4p | 3.336011 | .01001808 |
| 6 | 4p | 31.605478 | -.00121422 |
| 7 | 5p | 3.361676 | -.00571072 |
| 8 | 3p | 3.505568 | -.00024177 |
| 9 | 3p | 45.873090 | -.00009266 |
| ORB.ENERGY,a.u. | -10.686000 | ||
| NORM | 1.000000 | < R > | .463370 | < R2 > | .262341 | < 1/R > | 2.758405 | < 1/R**2 > | 10.431347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.218167 | .38979502 |
| 2 | 2s | 5.858595 | -.85037616 |
| 3 | 3s | 5.558472 | -.28572021 |
| 4 | 4s | 23.149722 | .00203998 |
| 5 | 3s | 13.476193 | .01609285 |
| 6 | 5s | 5.689883 | -.01518213 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .520108 | < R2 > | .318285 | < 1/R > | 2.806480 | < 1/R**2 > | 32.128110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.171331 | .92665327 |
| 2 | 1s | 20.336750 | .07189834 |
| 3 | 2s | 11.825493 | .01816467 |
| 4 | 3s | 16.610227 | -.01485373 |
| 5 | 4s | 25.880023 | .00300413 |
| 6 | 5s | 47.900712 | .00008438 |
| 7 | 5s | 10.070595 | .00071791 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .110994 | < R2 > | .016538 | < 1/R > | 13.614251 | < 1/R**2 > | 373.778353 |
Total Energy= -264.22146205 a.u.
Kinetic Energy= 264.23703276 a.u.
Potential Energy= -528.45849480 a.u.
Virial Ratio = -1.99994107