(1s 2 2s 2 2p 4 4s 1 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 13.170384 | .09157048 |
| 2 | 2s | 2.950660 | -1.44433342 |
| 3 | 3s | 3.032280 | 2.81420551 |
| 4 | 4s | 2.207342 | -1.82025339 |
| 5 | 5s | 4.545451 | -.17119311 |
| 6 | 4s | 14.037925 | -.01191295 |
| 7 | 5s | 30.382909 | -.00032947 |
| 8 | 5s | 1.790284 | .01496872 |
| 9 | 4s | 48.882367 | -.00010394 |
| ORB.ENERGY,a.u. | -2.505900 | ||
| NORM | 1.000001 | < R > | 2.412027 | < R2 > | 6.530888 | < 1/R > | .582215 | < 1/R**2 > | 2.613524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.564016 | 1.15374532 |
| 2 | 3p | 6.347199 | -.23022263 |
| 3 | 2p | 12.103548 | .07381531 |
| 4 | 4p | 14.280220 | .01234454 |
| 5 | 5p | 39.858428 | -.00013402 |
| 6 | 5p | 6.004239 | -.00212427 |
| ORB.ENERGY,a.u. | -13.296000 | ||
| NORM | 1.000000 | < R > | .405076 | < R2 > | .200968 | < 1/R > | 3.163719 | < 1/R**2 > | 13.757573 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.919707 | .34867474 |
| 2 | 2s | 5.873256 | -.77953315 |
| 3 | 3s | 8.724116 | -.24077652 |
| 4 | 4s | 6.702135 | -.06711766 |
| 5 | 5s | 18.782419 | -.00902876 |
| 6 | 5s | 2.401051 | -.00643105 |
| 7 | 3s | 3.883503 | .00959707 |
| 8 | 3s | 57.300633 | -.00006412 |
| 9 | 4s | 109.773225 | .00000852 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .451877 | < R2 > | .240462 | < 1/R > | 3.237933 | < 1/R**2 > | 42.834899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164319 | .92014552 |
| 2 | 1s | 22.176460 | .07649165 |
| 3 | 2s | 10.279473 | .01915536 |
| 4 | 3s | 12.503194 | -.01839794 |
| 5 | 4s | 14.653723 | .00837098 |
| 6 | 5s | 39.245040 | .00066855 |
| 7 | 4s | 83.014784 | -.00003818 |
| 8 | 5s | 2.387377 | .00266163 |
| 9 | 4s | 2.055680 | -.00233552 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096891 | < R2 > | .012604 | < 1/R > | 15.592674 | < 1/R**2 > | 490.079017 |
Total Energy= -367.77973344 a.u.
Kinetic Energy= 367.76288511 a.u.
Potential Energy= -735.54261855 a.u.
Virial Ratio = -2.00004581