(1s 2 2s 2 2p 5 4p 1 ) 1 S P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 6.471803 | .14153835 |
| 2 | 3p | 1.338398 | 2.25719657 |
| 3 | 4p | 2.413482 | -1.72116813 |
| 4 | 5p | 4.341414 | -.19073354 |
| 5 | 3p | 9.270371 | -.01779194 |
| 6 | 5p | 1.230200 | -.14830050 |
| 7 | 4p | 29.833166 | -.00013493 |
| 8 | 3p | .491585 | .11880329 |
| 9 | 4p | .553817 | -.08953659 |
| ORB.ENERGY,a.u. | -1.308400 | ||
| NORM | .999999 | < R > | 3.306062 | < R2 > | 12.316940 | < 1/R > | .399659 | < 1/R**2 > | .381307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.013206 | 1.22974306 |
| 2 | 3p | 6.166947 | -.28889364 |
| 3 | 2p | 11.613810 | .05933092 |
| 4 | 4p | 11.961486 | .00947636 |
| 5 | 5p | 1.886417 | .02588494 |
| 6 | 4p | 2.124505 | -.01975374 |
| 7 | 5p | 19.395278 | .00254578 |
| 8 | 3p | 1.180738 | .00461869 |
| ORB.ENERGY,a.u. | -9.112600 | ||
| NORM | 1.000000 | < R > | .458266 | < R2 > | .261302 | < 1/R > | 2.822982 | < 1/R**2 > | 11.060677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.150518 | .37158666 |
| 2 | 2s | 6.137890 | -.83321001 |
| 3 | 3s | 5.439589 | -.30214821 |
| 4 | 4s | 19.045227 | .00365348 |
| 5 | 3s | 17.071547 | .00691708 |
| 6 | 5s | 37.283914 | .00037656 |
| 7 | 5s | 4.943669 | -.00358020 |
| 8 | 4s | 2.592492 | .00025265 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501575 | < R2 > | .297406 | < 1/R > | 2.910159 | < 1/R**2 > | 34.764846 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204226 | .92330673 |
| 2 | 1s | 20.989754 | .07298993 |
| 3 | 2s | 8.536073 | .02103720 |
| 4 | 3s | 10.642984 | -.02133212 |
| 5 | 4s | 13.383395 | .01071003 |
| 6 | 5s | 35.391115 | .00078736 |
| 7 | 4s | 81.767939 | -.00004477 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103678 | < R2 > | .014444 | < 1/R > | 14.584617 | < 1/R**2 > | 429.109158 |
Total Energy= -327.67162575 a.u.
Kinetic Energy= 327.62422836 a.u.
Potential Energy= -655.29585411 a.u.
Virial Ratio = -2.00014467