(1s 2 2s 2 2p 5 5p 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | 4.009383 | .16283943 |
| 2 | 3p | 1.813460 | -1.58587895 |
| 3 | 4p | 1.491614 | 3.61398238 |
| 4 | 5p | 1.285392 | -2.80681637 |
| 5 | 2p | 8.519976 | .04747823 |
| 6 | 5p | 12.666945 | .00258299 |
| 7 | 4p | 30.742373 | -.00017504 |
| 8 | 4p | .866120 | .01445147 |
| ORB.ENERGY,a.u. | -.839460 | ||
| NORM | .999999 | < R > | 5.214291 | < R2 > | 30.570555 | < 1/R > | .274519 | < 1/R**2 > | .283004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.862662 | 1.22150890 |
| 2 | 3p | 5.739346 | -.30034059 |
| 3 | 2p | 11.278052 | .07638997 |
| 4 | 3p | 42.791819 | .00003367 |
| 5 | 4p | 13.513002 | .01369105 |
| 6 | 5p | 3.265405 | .00041366 |
| ORB.ENERGY,a.u. | -9.346900 | ||
| NORM | 1.000000 | < R > | .459187 | < R2 > | .260417 | < 1/R > | 2.818024 | < 1/R**2 > | 11.032609 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.142832 | .37210624 |
| 2 | 2s | 6.143253 | -.83419627 |
| 3 | 3s | 5.430903 | -.30273257 |
| 4 | 4s | 18.532303 | .00411997 |
| 5 | 3s | 17.348787 | .00675532 |
| 6 | 5s | 36.557790 | .00041809 |
| 7 | 5s | 4.763617 | -.00294625 |
| 8 | 4s | 3.267258 | .00066381 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501356 | < R2 > | .297123 | < 1/R > | 2.911446 | < 1/R**2 > | 34.793439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204399 | .92330302 |
| 2 | 1s | 20.989762 | .07299239 |
| 3 | 2s | 8.539653 | .02102484 |
| 4 | 3s | 10.649292 | -.02131988 |
| 5 | 4s | 13.395077 | .01069138 |
| 6 | 5s | 35.530015 | .00079241 |
| 7 | 4s | 81.629823 | -.00004271 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103675 | < R2 > | .014443 | < 1/R > | 14.584885 | < 1/R**2 > | 429.121273 |
Total Energy= -327.15790311 a.u.
Kinetic Energy= 327.15538097 a.u.
Potential Energy= -654.31328408 a.u.
Virial Ratio = -2.00000771