(1s 2 2s 2 2p 5 4s 1 ) 3 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 13.130611 | .07369868 |
| 2 | 2s | 2.640232 | -1.05862221 |
| 3 | 3s | 2.589386 | 2.29158462 |
| 4 | 4s | 1.760221 | -1.59629863 |
| 5 | 5s | 3.775962 | -.25806285 |
| 6 | 4s | 11.672407 | -.03326337 |
| 7 | 5s | 22.800918 | -.00379842 |
| 8 | 4s | 32.109529 | -.00104800 |
| 9 | 5s | 1.374030 | .00801145 |
| 10 | 2s | 71.706875 | .00001622 |
| ORB.ENERGY,a.u. | -1.540300 | ||
| NORM | 1.000001 | < R > | 2.945634 | < R2 > | 9.748273 | < 1/R > | .476650 | < 1/R**2 > | 1.810985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.852493 | 1.22739034 |
| 2 | 3p | 5.717719 | -.30657109 |
| 3 | 2p | 11.295251 | .07595568 |
| 4 | 4p | 13.560414 | .01354785 |
| 5 | 3p | 42.259456 | .00003553 |
| 6 | 5p | 4.938908 | .00108063 |
| 7 | 4p | 1.316755 | -.00009933 |
| ORB.ENERGY,a.u. | -9.209400 | ||
| NORM | 1.000000 | < R > | .459582 | < R2 > | .260924 | < 1/R > | 2.816174 | < 1/R**2 > | 11.020000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.360248 | .32237863 |
| 2 | 2s | 5.055755 | -.77793309 |
| 3 | 3s | 8.582431 | -.23084426 |
| 4 | 4s | 6.740092 | -.05739554 |
| 5 | 5s | 18.030038 | -.00782793 |
| 6 | 5s | 2.233741 | .00249074 |
| 7 | 4s | 2.877890 | -.00302408 |
| 8 | 3s | 42.072267 | -.00007879 |
| 9 | 3s | 1.205030 | .00061275 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501510 | < R2 > | .297369 | < 1/R > | 2.910935 | < 1/R**2 > | 34.784883 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204573 | .92335060 |
| 2 | 1s | 20.966932 | .07308420 |
| 3 | 2s | 8.237796 | .02142849 |
| 4 | 3s | 10.302783 | -.02217947 |
| 5 | 4s | 13.166628 | .01092437 |
| 6 | 5s | 35.629204 | .00081915 |
| 7 | 4s | 82.381584 | -.00003884 |
| 8 | 5s | 1.367213 | -.00008748 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103672 | < R2 > | .014442 | < 1/R > | 14.585157 | < 1/R**2 > | 429.132638 |
Total Energy= -327.85055544 a.u.
Kinetic Energy= 327.85400347 a.u.
Potential Energy= -655.70455891 a.u.
Virial Ratio = -1.99998948