(1s 2 2s 2 2p 6 3s 2 3p 3 ) 4 S P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 4.146566 | .25281429 |
| 2 | 2p | .975013 | -.58321510 |
| 3 | 3p | 2.045229 | -.40656272 |
| 4 | 2p | 8.715377 | .05988736 |
| 5 | 4p | 5.877253 | -.01998948 |
| 6 | 5p | 1.858296 | -.09761863 |
| 7 | 3p | 15.287378 | -.00183201 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.322713 | < R2 > | 6.389652 | < 1/R > | .570152 | < 1/R**2 > | .715755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.905520 | -.11210000 |
| 2 | 1s | 11.237456 | .14401956 |
| 3 | 2s | 4.850890 | -.27236559 |
| 4 | 3s | 1.830944 | .79399042 |
| 5 | 4s | 3.371331 | .21672666 |
| 6 | 5s | 1.577142 | .09612899 |
| 7 | 3s | 15.694357 | .00411370 |
| 8 | 4s | 47.629158 | -.00005733 |
| 9 | 5s | 131.268826 | -.00000266 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.932684 | < R2 > | 4.347067 | < 1/R > | .694730 | < 1/R**2 > | 2.712756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.373751 | .42787277 |
| 2 | 3p | 6.500429 | .49516975 |
| 3 | 2p | 20.129281 | .00249722 |
| 4 | 4p | 5.240982 | .18075217 |
| 5 | 5p | 4.039833 | .01284000 |
| 6 | 3p | 38.340495 | .00006635 |
| 7 | 4p | 75.073049 | -.00000246 |
| 8 | 3p | 1.728464 | .00080929 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483401 | < R2 > | .291798 | < 1/R > | 2.706272 | < 1/R**2 > | 10.283994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.193780 | .35969295 |
| 2 | 2s | 5.434387 | -.77666871 |
| 3 | 3s | 4.853085 | -.17151338 |
| 4 | 4s | 23.779382 | .00226789 |
| 5 | 2s | 6.767593 | -.17605284 |
| 6 | 3s | 15.278823 | .00827013 |
| 7 | 5s | 4.005343 | -.00329246 |
| 8 | 4s | 2.035700 | -.00050450 |
| 9 | 5s | 49.346226 | .00004776 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515660 | < R2 > | .315920 | < 1/R > | 2.831708 | < 1/R**2 > | 33.056866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570408 | 1.01424030 |
| 2 | 2s | 21.106919 | -.02187053 |
| 3 | 3s | 11.317895 | .01690259 |
| 4 | 4s | 20.154271 | -.00094893 |
| 5 | 5s | 17.673874 | .00323292 |
| 6 | 5s | 62.011960 | -.00003397 |
| 7 | 4s | 12.081872 | -.00659327 |
| 8 | 2s | 54.479806 | .00012870 |
| 9 | 3s | 7.539862 | .00140853 |
| 10 | 5s | 2.219465 | -.00001131 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103805 | < R2 > | .014488 | < 1/R > | 14.573552 | < 1/R**2 > | 428.606517 |
Total Energy= -340.71877827 a.u.
Kinetic Energy= 340.71878958 a.u.
Potential Energy= -681.43756785 a.u.
Virial Ratio = -1.99999997