(1s 2 2s 2 2p 4 4d 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 1.823338 | 1.14305309 |
| 2 | 4d | 1.504134 | -1.67562167 |
| 3 | 3d | 5.884097 | .03438221 |
| 4 | 4d | 4.291573 | .03491932 |
| 5 | 5d | 18.742130 | -.00012124 |
| 6 | 5d | 1.280060 | .01046800 |
| ORB.ENERGY,a.u. | -1.168200 | ||
| NORM | 1.000000 | < R > | 3.328496 | < R2 > | 12.744673 | < 1/R > | .405840 | < 1/R**2 > | .282039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 5.439979 | -.28070358 |
| 2 | 2p | 10.801418 | .06674902 |
| 3 | 4p | 12.602955 | .01349471 |
| 4 | 5p | 31.759586 | -.00013874 |
| 5 | 5p | 1.584680 | -.00017328 |
| 6 | 2p | 4.644502 | 1.20975563 |
| ORB.ENERGY,a.u. | -8.550200 | ||
| NORM | 1.000000 | < R > | .484704 | < R2 > | .289102 | < 1/R > | 2.658595 | < 1/R**2 > | 9.776932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.294391 | .37584582 |
| 2 | 2s | 5.751399 | -.84246457 |
| 3 | 3s | 5.159703 | -.29706986 |
| 4 | 4s | 15.980074 | .00823576 |
| 5 | 3s | 18.156908 | .00600770 |
| 6 | 5s | 28.670154 | .00074278 |
| 7 | 5s | 4.570121 | -.00474960 |
| 8 | 4s | 3.551614 | .00198345 |
| 9 | 3s | 45.219762 | -.00006990 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533388 | < R2 > | .335780 | < 1/R > | 2.734095 | < 1/R**2 > | 30.606266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204993 | .91771735 |
| 2 | 1s | 19.461835 | .07932149 |
| 3 | 2s | 8.041945 | .01968017 |
| 4 | 3s | 9.929846 | -.01992404 |
| 5 | 4s | 12.308973 | .00936749 |
| 6 | 5s | 33.682411 | .00093834 |
| 7 | 4s | 80.940823 | -.00003435 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111164 | < R2 > | .016601 | < 1/R > | 13.601240 | < 1/R**2 > | 373.228518 |
Total Energy= -272.78978063 a.u.
Kinetic Energy= 272.78443893 a.u.
Potential Energy= -545.57421955 a.u.
Virial Ratio = -2.00001958