(1s 2 2s 2 2p 6 3s 2 5p 1 ) 2 P S 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 4p | .902367 | 7.92866583 |
| 2 | 5p | .994938 | -6.24825362 |
| 3 | 3p | 2.108958 | -.43420173 |
| 4 | 2p | 22.158270 | .00068876 |
| 5 | 2p | 5.745906 | .13479521 |
| 6 | 5p | 13.087313 | .00766242 |
| 7 | 3p | .703539 | -2.03298600 |
| 8 | 4p | 10.308233 | -.03016904 |
| 9 | 5p | .550109 | .18350882 |
| 10 | 4p | .483738 | -.18522358 |
| 11 | 3p | 48.427208 | .00000515 |
| ORB.ENERGY,a.u. | -.435280 | ||
| NORM | .999994 | < R > | 6.703579 | < R2 > | 50.426960 | < 1/R > | .208355 | < 1/R**2 > | .166818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.558179 | -.27540371 |
| 2 | 1s | 11.869569 | .17120394 |
| 3 | 1s | 120.470760 | .00001139 |
| 4 | 2s | 5.717781 | -.27098175 |
| 5 | 3s | 2.429817 | .97901776 |
| 6 | 4s | 3.828495 | .20548694 |
| 7 | 5s | 48.499084 | -.00035295 |
| 8 | 3s | 50.516807 | -.00036457 |
| 9 | 5s | 1.806643 | .00087975 |
| ORB.ENERGY,a.u. | -2.301000 | ||
| NORM | 1.000000 | < R > | 1.490416 | < R2 > | 2.523885 | < 1/R > | .910389 | < 1/R**2 > | 4.826922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.786531 | .45770753 |
| 2 | 3p | 6.912569 | .48104383 |
| 3 | 5p | 5.527507 | .02828460 |
| 4 | 4p | 5.962809 | .12862459 |
| 5 | 2p | 17.876110 | .00508247 |
| 6 | 5p | 36.038781 | -.00033679 |
| 7 | 4p | 50.163557 | -.00006066 |
| 8 | 3p | 3.457189 | .00869462 |
| ORB.ENERGY,a.u. | -8.184600 | ||
| NORM | 1.000000 | < R > | .439133 | < R2 > | .239598 | < 1/R > | 2.963701 | < 1/R**2 > | 12.267740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.030837 | .36701626 |
| 2 | 2s | 6.292288 | -.76589868 |
| 3 | 3s | 5.312000 | -.16166973 |
| 4 | 4s | 20.934249 | .00390173 |
| 5 | 2s | 5.407575 | -.19543705 |
| 6 | 3s | 20.727132 | .00457123 |
| 7 | 5s | 39.434121 | .00013642 |
| 8 | 5s | 3.207445 | -.00128504 |
| 9 | 2s | 58.457206 | .00002170 |
| 10 | 4s | 2.746107 | .00136481 |
| ORB.ENERGY,a.u. | -10.436000 | ||
| NORM | 1.000000 | < R > | .473503 | < R2 > | .265612 | < 1/R > | 3.086885 | < 1/R**2 > | 39.215456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 74.383328 | .00019747 |
| 2 | 5s | 7.055727 | -.00174733 |
| 3 | 2s | 26.112126 | -.00352805 |
| 4 | 3s | 113.752438 | -.00001460 |
| 5 | 1s | 15.584788 | 1.01163861 |
| 6 | 2s | 19.823775 | -.01854262 |
| 7 | 3s | 14.034646 | .01696551 |
| 8 | 4s | 59.189227 | -.00056677 |
| 9 | 4s | 6.415599 | .00245345 |
| ORB.ENERGY,a.u. | -92.967000 |
| NORM | 1.000000 | < R > | .097126 | < R2 > | .012679 | < 1/R > | 15.569018 | < 1/R**2 > | 488.930734 |
Total Energy= -393.80473247 a.u.
Kinetic Energy= 393.80473908 a.u.
Potential Energy= -787.60947155 a.u.
Virial Ratio = -1.99999998