(1s 2 2s 2 2p 5 4d 1 ) 1 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 1.461847 | 1.26662657 |
| 2 | 4d | 1.260936 | -1.79383429 |
| 3 | 3d | 5.197623 | .03573355 |
| 4 | 4d | 3.494561 | .03718951 |
| 5 | 5d | 8.434702 | -.00146111 |
| 6 | 4d | 33.634216 | .00001522 |
| ORB.ENERGY,a.u. | -.806580 | ||
| NORM | 1.000000 | < R > | 4.016690 | < R2 > | 18.571144 | < 1/R > | .336982 | < 1/R**2 > | .195350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.340111 | 1.25500795 |
| 2 | 3p | 5.127467 | -.34173460 |
| 3 | 2p | 10.370431 | .08284589 |
| 4 | 3p | 40.637224 | .00003128 |
| 5 | 4p | 12.342939 | .01602798 |
| 6 | 5p | 3.102013 | .00067758 |
| 7 | 4p | 1.458111 | -.00024346 |
| ORB.ENERGY,a.u. | -7.101800 | ||
| NORM | 1.000000 | < R > | .506944 | < R2 > | .318617 | < 1/R > | 2.563546 | < 1/R**2 > | 9.172999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.394714 | .36127090 |
| 2 | 2s | 5.641646 | -.83056776 |
| 3 | 3s | 4.898669 | -.30208056 |
| 4 | 4s | 17.593631 | .00480384 |
| 5 | 3s | 16.499506 | .00656493 |
| 6 | 5s | 34.995546 | .00036706 |
| 7 | 5s | 4.590244 | -.00269405 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547249 | < R2 > | .354711 | < 1/R > | 2.663478 | < 1/R**2 > | 29.153154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199788 | .91833880 |
| 2 | 1s | 19.515259 | .07855123 |
| 3 | 2s | 7.793778 | .02028674 |
| 4 | 3s | 9.787182 | -.02091352 |
| 5 | 4s | 12.346500 | .01063994 |
| 6 | 5s | 33.451315 | .00088678 |
| 7 | 4s | 77.674308 | -.00003843 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111305 | < R2 > | .016654 | < 1/R > | 13.590569 | < 1/R**2 > | 372.779786 |
Total Energy= -279.91617564 a.u.
Kinetic Energy= 279.90865006 a.u.
Potential Energy= -559.82482570 a.u.
Virial Ratio = -2.00002689