(1s 2 2s 2 2p 4 4d 1 ) 4 F Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 1.854634 | 1.09599835 |
| 2 | 4d | 1.508359 | -1.63711939 |
| 3 | 3d | 5.854986 | .03620307 |
| 4 | 4d | 4.291913 | .03874429 |
| 5 | 5d | 18.283826 | -.00014016 |
| 6 | 5d | 1.307782 | .01358070 |
| ORB.ENERGY,a.u. | -1.176500 | ||
| NORM | 1.000000 | < R > | 3.303890 | < R2 > | 12.556572 | < 1/R > | .409076 | < 1/R**2 > | .287254 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.644219 | 1.20840920 |
| 2 | 3p | 5.440222 | -.27961926 |
| 3 | 2p | 10.792219 | .06704234 |
| 4 | 4p | 12.586989 | .01358465 |
| 5 | 5p | 31.850065 | -.00013654 |
| 6 | 5p | 1.607845 | -.00017702 |
| ORB.ENERGY,a.u. | -8.558600 | ||
| NORM | 1.000000 | < R > | .484771 | < R2 > | .289186 | < 1/R > | 2.658278 | < 1/R**2 > | 9.774861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.290330 | .37604280 |
| 2 | 2s | 5.753654 | -.84289585 |
| 3 | 3s | 5.156259 | -.29715043 |
| 4 | 4s | 15.888322 | .00862088 |
| 5 | 3s | 18.489357 | .00584483 |
| 6 | 5s | 27.934580 | .00082319 |
| 7 | 5s | 4.587214 | -.00384986 |
| 8 | 4s | 3.376853 | .00117880 |
| 9 | 3s | 43.333224 | -.00008936 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533396 | < R2 > | .335791 | < 1/R > | 2.734054 | < 1/R**2 > | 30.605381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204993 | .91771795 |
| 2 | 1s | 19.462070 | .07932058 |
| 3 | 2s | 8.043068 | .01967760 |
| 4 | 3s | 9.930889 | -.01992204 |
| 5 | 4s | 12.309325 | .00936716 |
| 6 | 5s | 33.695145 | .00093879 |
| 7 | 4s | 80.940752 | -.00003404 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111164 | < R2 > | .016601 | < 1/R > | 13.601259 | < 1/R**2 > | 373.229363 |
Total Energy= -272.78967308 a.u.
Kinetic Energy= 272.79277906 a.u.
Potential Energy= -545.58245214 a.u.
Virial Ratio = -1.99998861