(1s 2 2s 2 2p 3 3s 1 ) 5 S P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 3s- electron | |
| 1 | 1s | 12.162509 | .17573336 |
| 2 | 2s | 4.597467 | -.81708342 |
| 3 | 3s | 3.145635 | 1.37350079 |
| 4 | 4s | 10.976437 | -.03310770 |
| 5 | 5s | 18.935678 | -.00305049 |
| 6 | 5s | 2.988710 | -.00276165 |
| 7 | 4s | 79.210173 | .00001588 |
| 8 | 2s | 75.556078 | .00001066 |
| ORB.ENERGY,a.u. | -4.798100 | ||
| NORM | 1.000000 | < R > | 1.266327 | < R2 > | 1.822949 | < 1/R > | 1.134354 | < 1/R**2 > | 7.901513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.721384 | 1.34087448 |
| 2 | 3p | 7.329883 | -.42995722 |
| 3 | 4p | 9.173899 | .08453023 |
| 4 | 5p | 4.257314 | .01030923 |
| 5 | 4p | 23.912180 | -.00211592 |
| 6 | 3p | 29.686537 | -.00040317 |
| 7 | 5p | 3.767932 | -.00585530 |
| 8 | 3p | 2.017786 | .00059490 |
| ORB.ENERGY,a.u. | -12.801000 | ||
| NORM | 1.000000 | < R > | .424664 | < R2 > | .220188 | < 1/R > | 3.005452 | < 1/R**2 > | 12.356886 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.756065 | .40759765 |
| 2 | 4s | 2.852291 | -.00272821 |
| 3 | 2s | 6.453684 | -.87276114 |
| 4 | 3s | 5.871241 | -.29695689 |
| 5 | 4s | 24.541651 | .00292920 |
| 6 | 3s | 12.657691 | .02521359 |
| 7 | 5s | 4.394078 | -.01271287 |
| 8 | 3s | 27.514745 | .00030228 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .482649 | < R2 > | .275021 | < 1/R > | 3.035554 | < 1/R**2 > | 37.631919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.176068 | .93025514 |
| 2 | 1s | 21.752700 | .06787939 |
| 3 | 2s | 12.101917 | .01871235 |
| 4 | 3s | 17.099226 | -.01482063 |
| 5 | 4s | 25.686960 | .00265637 |
| 6 | 5s | 45.114008 | .00029074 |
| 7 | 5s | 6.936335 | .00017104 |
| 8 | 4s | 3.469541 | .00067329 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103367 | < R2 > | .014338 | < 1/R > | 14.611904 | < 1/R**2 > | 430.340044 |
Total Energy= -310.13083935 a.u.
Kinetic Energy= 310.17793018 a.u.
Potential Energy= -620.30876954 a.u.
Virial Ratio = -1.99984818