(1s 2 2s 2 2p 4 3d 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 2.143210 | 1.09814625 |
| 2 | 3d | 5.603944 | .04365955 |
| 3 | 4d | 2.744118 | -.13462141 |
| 4 | 5d | 7.974661 | -.00219294 |
| 5 | 5d | 2.059948 | .02105284 |
| 6 | 4d | 34.266658 | .00002563 |
| ORB.ENERGY,a.u. | -2.085000 | ||
| NORM | 1.000000 | < R > | 1.619185 | < R2 > | 3.039243 | < 1/R > | .736736 | < 1/R**2 > | .674680 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.507679 | 1.22476980 |
| 2 | 3p | 5.152764 | -.31601586 |
| 3 | 2p | 10.405998 | .08266464 |
| 4 | 4p | 12.164019 | .01625943 |
| 5 | 5p | 34.179658 | -.00012863 |
| 6 | 5p | 2.722523 | .00052377 |
| ORB.ENERGY,a.u. | -8.181100 | ||
| NORM | 1.000000 | < R > | .485834 | < R2 > | .290821 | < 1/R > | 2.654880 | < 1/R**2 > | 9.755894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.288266 | .37573974 |
| 2 | 2s | 5.757422 | -.84123823 |
| 3 | 3s | 5.162638 | -.29694194 |
| 4 | 4s | 15.884107 | .00877602 |
| 5 | 3s | 18.508381 | .00578304 |
| 6 | 5s | 28.147843 | .00083386 |
| 7 | 5s | 4.789155 | -.00603511 |
| 8 | 3s | 44.228950 | -.00008110 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534158 | < R2 > | .336946 | < 1/R > | 2.730873 | < 1/R**2 > | 30.543205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.205154 | .91771737 |
| 2 | 1s | 19.461839 | .07932051 |
| 3 | 2s | 8.046506 | .01966475 |
| 4 | 3s | 9.934639 | -.01991474 |
| 5 | 4s | 12.311366 | .00936291 |
| 6 | 5s | 33.732355 | .00094323 |
| 7 | 4s | 81.032352 | -.00003299 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111162 | < R2 > | .016600 | < 1/R > | 13.601442 | < 1/R**2 > | 373.237353 |
Total Energy= -273.71677591 a.u.
Kinetic Energy= 273.70143973 a.u.
Potential Energy= -547.41821564 a.u.
Virial Ratio = -2.00005603