(1s 2 2s 2 2p 5 3s 1 ) 1 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 13.039591 | .13960745 |
| 2 | 2s | 4.959536 | -.61672859 |
| 3 | 3s | 2.918877 | 1.25903550 |
| 4 | 4s | 13.540052 | -.01082602 |
| 5 | 5s | 5.991594 | -.03986522 |
| 6 | 4s | 3.106149 | -.00234201 |
| 7 | 5s | 35.709313 | .00026349 |
| ORB.ENERGY,a.u. | -4.003500 | ||
| NORM | 1.000000 | < R > | 1.341492 | < R2 > | 2.029282 | < 1/R > | 1.013523 | < 1/R**2 > | 5.940133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.312787 | 1.21427280 |
| 2 | 3p | 6.214606 | -.29034859 |
| 3 | 2p | 12.153631 | .07319928 |
| 4 | 4p | 14.799569 | .01200694 |
| 5 | 5p | 4.183843 | .00095883 |
| 6 | 5p | 82.425583 | .00001586 |
| ORB.ENERGY,a.u. | -11.163000 | ||
| NORM | 1.000000 | < R > | .421367 | < R2 > | .218850 | < 1/R > | 3.063177 | < 1/R**2 > | 12.996120 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.157549 | .33277467 |
| 2 | 2s | 5.554339 | -.77981340 |
| 3 | 3s | 9.189017 | -.22802569 |
| 4 | 4s | 7.361446 | -.06507085 |
| 5 | 5s | 19.204257 | -.00770714 |
| 6 | 5s | 3.644947 | .00595033 |
| 7 | 4s | 68.051272 | -.00003271 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .460658 | < R2 > | .249997 | < 1/R > | 3.170697 | < 1/R**2 > | 41.186965 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.185056 | .92209398 |
| 2 | 1s | 21.966601 | .07491569 |
| 3 | 2s | 6.442003 | .02632253 |
| 4 | 3s | 5.651478 | -.04700723 |
| 5 | 4s | 6.375254 | .03074026 |
| 6 | 5s | 42.445362 | .00051032 |
| 7 | 4s | 49.973761 | -.00015311 |
| 8 | 5s | 2.661733 | -.00014617 |
| 9 | 3s | 71.382438 | -.00005094 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097027 | < R2 > | .012647 | < 1/R > | 15.578992 | < 1/R**2 > | 489.415006 |
Total Energy= -381.31230438 a.u.
Kinetic Energy= 381.27753697 a.u.
Potential Energy= -762.58984135 a.u.
Virial Ratio = -2.00009119