(1s 2 2s 2 2p 6 3s 2 3p 3 5s 1 ) 3 S S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 13.306828 | .01077216 |
| 2 | 2s | 4.712578 | -.06336493 |
| 3 | 3s | 1.321030 | .16902304 |
| 4 | 4s | .644845 | -.43254229 |
| 5 | 5s | .392237 | .68177549 |
| 6 | 2s | 1.926312 | .13128679 |
| 7 | 3s | .289094 | .56365410 |
| 8 | 4s | 14.016076 | -.00125422 |
| 9 | 2s | .537071 | -.44832367 |
| ORB.ENERGY,a.u. | -.053041 | ||
| NORM | 1.000000 | < R > | 14.290564 | < R2 > | 229.621007 | < 1/R > | .090054 | < 1/R**2 > | .047034 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 2.719910 | -.11498638 |
| 2 | 2p | 6.003506 | .37516588 |
| 3 | 2p | 1.398555 | -.96339506 |
| 4 | 3p | 9.078907 | -.05398588 |
| 5 | 5p | 6.450516 | .06394734 |
| 6 | 4p | 25.711689 | -.00066778 |
| 7 | 5p | 54.650226 | -.00002518 |
| 8 | 3p | 42.882125 | -.00004503 |
| 9 | 3p | .525800 | -.00051028 |
| 10 | 5p | .336540 | -.00008620 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 1.881274 | < R2 > | 4.131186 | < 1/R > | .704518 | < 1/R**2 > | 1.092214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.285576 | 1.77840572 |
| 2 | 1s | 15.014155 | .04452910 |
| 3 | 2s | 5.554773 | -.95801338 |
| 4 | 3s | 1.334743 | -.08799975 |
| 5 | 4s | 4.482255 | -.28833500 |
| 6 | 5s | 7.178820 | -.11606117 |
| 7 | 5s | .431458 | .02309814 |
| 8 | 3s | 49.639934 | -.00030703 |
| 9 | 4s | 72.432335 | .00009815 |
| 10 | 2s | 146.029168 | -.00000351 |
| 11 | 5s | .447927 | -.01944912 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.658558 | < R2 > | 3.173172 | < 1/R > | .813725 | < 1/R**2 > | 3.796819 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.946293 | .44315259 |
| 2 | 3p | 6.916229 | .50876181 |
| 3 | 4p | 5.544269 | .15038285 |
| 4 | 5p | 4.021437 | .00651320 |
| 5 | 2p | 21.379165 | .00243156 |
| 6 | 3p | 49.742685 | .00002859 |
| 7 | 4p | 1.744614 | .00021628 |
| 8 | 5p | 60.890818 | .00001799 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .440826 | < R2 > | .241776 | < 1/R > | 2.955351 | < 1/R**2 > | 12.208805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924495 | .37011175 |
| 2 | 2s | 6.883806 | -.73720615 |
| 3 | 3s | 6.024242 | -.38884190 |
| 4 | 4s | 4.886116 | -.02955785 |
| 5 | 3s | 15.827106 | .00936234 |
| 6 | 4s | 26.696576 | .00175969 |
| 7 | 5s | 2.624946 | -.00051516 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475535 | < R2 > | .268222 | < 1/R > | 3.074633 | < 1/R**2 > | 38.932836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563584 | 1.01357516 |
| 2 | 2s | 18.223798 | -.01501431 |
| 3 | 3s | 14.023092 | .01728990 |
| 4 | 4s | 62.621067 | -.00035967 |
| 5 | 4s | 6.671164 | .00185309 |
| 6 | 5s | 82.271494 | .00011293 |
| 7 | 5s | 7.108056 | -.00118512 |
| 8 | 2s | 23.677801 | -.00960524 |
| 9 | 2s | 213.137507 | .00000079 |
| 10 | 3s | 1.711871 | -.00001006 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097148 | < R2 > | .012686 | < 1/R > | 15.566711 | < 1/R**2 > | 488.819012 |
Total Energy= -397.22773580 a.u.
Kinetic Energy= 397.22614937 a.u.
Potential Energy= -794.45388516 a.u.
Virial Ratio = -2.00000399