(1s 2 2s 2 2p 4 3p 1 ) 4 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p- electron | |
| 1 | 2p | 5.361106 | .43541444 |
| 2 | 3p | 3.037191 | -.94013389 |
| 3 | 4p | 3.563855 | -.19423889 |
| 4 | 2p | 10.002934 | .08011705 |
| 5 | 5p | 15.146931 | .00536056 |
| 6 | 5p | 39.630883 | -.00033420 |
| 7 | 4p | 60.207027 | -.00005757 |
| 8 | 5p | 2.871492 | -.00642716 |
| ORB.ENERGY,a.u. | -4.476900 | ||
| NORM | 1.000000 | < R > | 1.240868 | < R2 > | 1.767294 | < 1/R > | 1.104453 | < 1/R**2 > | 2.632566 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.277059 | 1.14933414 |
| 2 | 3p | 5.819412 | -.28479192 |
| 3 | 2p | 11.272846 | .11224826 |
| 4 | 5p | 13.010290 | -.02060589 |
| 5 | 4p | 11.428563 | .04989164 |
| 6 | 5p | 3.450015 | .00170842 |
| 7 | 3p | 47.656742 | .00003012 |
| ORB.ENERGY,a.u. | -12.942000 | ||
| NORM | 1.000000 | < R > | .406946 | < R2 > | .203274 | < 1/R > | 3.154190 | < 1/R**2 > | 13.690083 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.807903 | .39326270 |
| 2 | 2s | 6.759918 | -.84796508 |
| 3 | 3s | 6.247339 | -.29775341 |
| 4 | 4s | 17.394245 | .00949693 |
| 5 | 3s | 21.425376 | .00663397 |
| 6 | 5s | 31.288733 | .00077426 |
| 7 | 5s | 5.765853 | -.00815629 |
| 8 | 2s | 59.182256 | .00004098 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .453960 | < R2 > | .242779 | < 1/R > | 3.223138 | < 1/R**2 > | 42.476676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164097 | .91842477 |
| 2 | 1s | 22.046625 | .07810028 |
| 3 | 2s | 9.756007 | .01983822 |
| 4 | 3s | 11.812499 | -.01989330 |
| 5 | 4s | 14.274547 | .00923937 |
| 6 | 5s | 38.816668 | .00076822 |
| 7 | 4s | 89.733658 | -.00003157 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096906 | < R2 > | .012607 | < 1/R > | 15.590929 | < 1/R**2 > | 489.993127 |
Total Energy= -369.64887050 a.u.
Kinetic Energy= 369.73507336 a.u.
Potential Energy= -739.38394385 a.u.
Virial Ratio = -1.99976685