(1s 2 2s 2 2p 1 5s 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 11.564574 | .09185323 |
| 2 | 2s | 3.605104 | -.87338503 |
| 3 | 3s | 2.741791 | 3.35686533 |
| 4 | 4s | 2.189388 | -7.18148951 |
| 5 | 5s | 2.108550 | 5.30312598 |
| 6 | 5s | 17.259745 | -.00380815 |
| 7 | 4s | 9.219088 | -.02373859 |
| ORB.ENERGY,a.u. | -2.214900 | ||
| NORM | .999999 | < R > | 3.397547 | < R2 > | 12.918024 | < 1/R > | .429191 | < 1/R**2 > | 1.839885 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.164019 | 1.08364148 |
| 2 | 3p | 7.545707 | -.09921333 |
| 3 | 2p | 14.452176 | .01542413 |
| 4 | 5p | 16.601060 | .00182875 |
| 5 | 4p | 28.831244 | -.00075332 |
| 6 | 5p | 6.556170 | .00315417 |
| 7 | 5p | 86.059551 | -.00001691 |
| ORB.ENERGY,a.u. | -17.219000 | ||
| NORM | 1.000000 | < R > | .396814 | < R2 > | .190593 | < 1/R > | 3.185481 | < 1/R**2 > | 13.732905 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.775288 | .38062584 |
| 2 | 2s | 5.873934 | -.80017566 |
| 3 | 3s | 7.858848 | -.28447348 |
| 4 | 4s | 28.689931 | .00127294 |
| 5 | 5s | 15.758700 | -.01310384 |
| 6 | 5s | 3.136490 | .00251442 |
| 7 | 3s | 1.361637 | -.00204675 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456419 | < R2 > | .243754 | < 1/R > | 3.212985 | < 1/R**2 > | 41.754575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.167871 | .93198708 |
| 2 | 1s | 22.014347 | .06740598 |
| 3 | 2s | 13.496141 | .01893588 |
| 4 | 3s | 16.488324 | -.01617664 |
| 5 | 4s | 79.741051 | -.00004828 |
| 6 | 5s | 34.710707 | .00095701 |
| 7 | 5s | 8.334959 | .00015069 |
| 8 | 3s | 1.532237 | -.00014748 |
| 9 | 4s | 1.316432 | .00018310 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102969 | < R2 > | .014204 | < 1/R > | 14.648158 | < 1/R**2 > | 432.004109 |
Total Energy= -278.30467317 a.u.
Kinetic Energy= 278.30727077 a.u.
Potential Energy= -556.61194394 a.u.
Virial Ratio = -1.99999067