(1s 2 2s 2 2p 4 5p 1 ) 4 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 2p | 3.795127 | .19927726 |
| 2 | 3p | 1.651041 | -2.03526936 |
| 3 | 4p | 1.500184 | 4.17900358 |
| 4 | 5p | 1.281576 | -2.84492636 |
| 5 | 2p | 8.090080 | .04598764 |
| 6 | 5p | 12.448140 | .00309897 |
| 7 | 4p | 30.150079 | -.00015559 |
| 8 | 2p | 1.918823 | -.05931208 |
| 9 | 4p | .556974 | .00089770 |
| ORB.ENERGY,a.u. | -.832800 | ||
| NORM | .999997 | < R > | 5.258475 | < R2 > | 31.086460 | < 1/R > | .272728 | < 1/R**2 > | .277295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.662538 | 1.20166319 |
| 2 | 3p | 5.468174 | -.27149632 |
| 3 | 2p | 10.802244 | .06637505 |
| 4 | 4p | 12.591836 | .01312895 |
| 5 | 5p | .779748 | .00014924 |
| 6 | 5p | 32.457015 | -.00015464 |
| ORB.ENERGY,a.u. | -8.718600 | ||
| NORM | 1.000000 | < R > | .484289 | < R2 > | .288510 | < 1/R > | 2.660035 | < 1/R**2 > | 9.785026 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.309200 | .37522613 |
| 2 | 2s | 5.731044 | -.84737894 |
| 3 | 3s | 5.080746 | -.30058067 |
| 4 | 4s | 16.620451 | .00789481 |
| 5 | 3s | 17.799133 | .00586782 |
| 6 | 5s | 33.099984 | .00054637 |
| 7 | 5s | 6.093338 | .00922222 |
| 8 | 4s | 2.255112 | .00007386 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533169 | < R2 > | .335443 | < 1/R > | 2.734978 | < 1/R**2 > | 30.623659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204509 | .91772315 |
| 2 | 1s | 19.462678 | .07932113 |
| 3 | 2s | 8.033187 | .01970695 |
| 4 | 3s | 9.918963 | -.01994583 |
| 5 | 4s | 12.301511 | .00938430 |
| 6 | 5s | 33.551391 | .00092617 |
| 7 | 4s | 80.710511 | -.00003729 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111170 | < R2 > | .016603 | < 1/R > | 13.600747 | < 1/R**2 > | 373.207083 |
Total Energy= -272.44527258 a.u.
Kinetic Energy= 272.44873029 a.u.
Potential Energy= -544.89400287 a.u.
Virial Ratio = -1.99998731