(1s 2 2s 2 2p 6 3p 1 ) 2 P S 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3.879219 | -.03831254 |
| 2 | 3p | 2.432374 | -1.11013564 |
| 3 | 2p | 4.325996 | .34865707 |
| 4 | 2p | 8.359058 | .14119333 |
| 5 | 3p | 11.474266 | -.01056545 |
| 6 | 4p | 27.830880 | -.00049491 |
| 7 | 5p | 1.981790 | -.00210908 |
| 8 | 3p | 38.778493 | -.00005217 |
| ORB.ENERGY,a.u. | -2.733500 | ||
| NORM | 1.000000 | < R > | 1.518019 | < R2 > | 2.636387 | < 1/R > | .883390 | < 1/R**2 > | 1.717933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.750912 | .45063677 |
| 2 | 3p | 6.976440 | .47701216 |
| 3 | 5p | 4.306582 | .00476330 |
| 4 | 4p | 5.746407 | .16309016 |
| 5 | 2p | 14.098148 | .00951800 |
| 6 | 5p | 27.222643 | -.00060987 |
| 7 | 3p | 16.537993 | .00199270 |
| 8 | 3p | 38.695020 | .00044662 |
| 9 | 2p | 45.505342 | .00020694 |
| 10 | 5p | 1.465119 | .00003496 |
| ORB.ENERGY,a.u. | -9.498700 | ||
| NORM | 1.000000 | < R > | .437293 | < R2 > | .237229 | < 1/R > | 2.972626 | < 1/R**2 > | 12.330839 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.983437 | .36837609 |
| 2 | 2s | 6.437345 | -.85979283 |
| 3 | 3s | 5.567630 | -.27543042 |
| 4 | 4s | 26.223181 | .00138876 |
| 5 | 3s | 16.881291 | .00847522 |
| 6 | 5s | 4.114759 | -.00135417 |
| 7 | 2s | 58.124918 | .00001390 |
| ORB.ENERGY,a.u. | -11.839000 | ||
| NORM | 1.000000 | < R > | .474200 | < R2 > | .266406 | < 1/R > | 3.081701 | < 1/R**2 > | 39.087829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.574093 | 1.01264112 |
| 2 | 2s | 20.368828 | -.02162634 |
| 3 | 3s | 13.948718 | .01640976 |
| 4 | 4s | 54.444993 | -.00069759 |
| 5 | 4s | 6.580870 | .00234082 |
| 6 | 5s | 67.402586 | .00021734 |
| 7 | 5s | 7.224616 | -.00165051 |
| 8 | 2s | 32.006517 | -.00094379 |
| 9 | 3s | 89.757573 | -.00003266 |
| ORB.ENERGY,a.u. | -94.523000 |
| NORM | 1.000000 | < R > | .097136 | < R2 > | .012682 | < 1/R > | 15.568094 | < 1/R**2 > | 488.891201 |
Total Energy= -390.29641437 a.u.
Kinetic Energy= 390.29642507 a.u.
Potential Energy= -780.59283944 a.u.
Virial Ratio = -1.99999997