(1s 2 2s 2 2p 1 4s 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 12.366637 | .13409469 |
| 2 | 2s | 3.347375 | -1.79543885 |
| 3 | 3s | 3.402301 | 3.75427983 |
| 4 | 4s | 2.898178 | -2.57373632 |
| 5 | 5s | 10.494609 | -.03242710 |
| 6 | 4s | 13.842628 | -.02429535 |
| 7 | 5s | 23.764489 | .00086535 |
| 8 | 5s | 2.171470 | .00173140 |
| 9 | 4s | 61.635582 | -.00004100 |
| ORB.ENERGY,a.u. | -4.264800 | ||
| NORM | 1.000000 | < R > | 1.945478 | < R2 > | 4.251769 | < 1/R > | .746965 | < 1/R**2 > | 4.472089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.660359 | 1.08321581 |
| 2 | 3p | 8.240780 | -.09618905 |
| 3 | 2p | 15.735581 | .01342336 |
| 4 | 5p | 17.597107 | .00252628 |
| 5 | 4p | 32.462119 | -.00049496 |
| 6 | 5p | 6.037302 | .00484305 |
| 7 | 5p | 102.116133 | -.00000824 |
| 8 | 3p | 4.044443 | -.00358850 |
| ORB.ENERGY,a.u. | -20.077000 | ||
| NORM | 1.000000 | < R > | .367742 | < R2 > | .163607 | < 1/R > | 3.434900 | < 1/R**2 > | 15.951777 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.579705 | .38680621 |
| 2 | 2s | 6.327323 | -.80514217 |
| 3 | 3s | 8.483348 | -.28444988 |
| 4 | 4s | 30.543765 | .00123657 |
| 5 | 5s | 16.830299 | -.01194724 |
| 6 | 5s | 2.981106 | .00202998 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424326 | < R2 > | .210634 | < 1/R > | 3.461184 | < 1/R**2 > | 48.439813 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.187660 | .94016261 |
| 2 | 1s | 23.906171 | .05877595 |
| 3 | 2s | 14.597374 | .01899493 |
| 4 | 3s | 17.949826 | -.01591812 |
| 5 | 4s | 84.766570 | -.00004880 |
| 6 | 5s | 36.522886 | .00094453 |
| 7 | 5s | 7.607446 | .00017212 |
| 8 | 3s | 1.713694 | -.00013877 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096364 | < R2 > | .012436 | < 1/R > | 15.647031 | < 1/R**2 > | 492.731511 |
Total Energy= -320.63355631 a.u.
Kinetic Energy= 320.63978533 a.u.
Potential Energy= -641.27334164 a.u.
Virial Ratio = -1.99998057