(1s 2 2s 2 2p 1 5p 1 ) 1 P P 9+
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 | 4.389122 | .40346905 |
| 2 | 3p | 2.359914 | -3.61440550 |
| 3 | 4p | 2.070338 | 9.72162724 |
| 4 | 5p | 2.088796 | -7.15854150 |
| 5 | 2p | 10.095153 | .03072520 |
| 6 | 5p | 13.818303 | -.00018538 |
| 7 | 4p | 12.702604 | .00713975 |
| 8 | 4p | 1.508738 | -.02265847 |
| ORB.ENERGY,a.u. | -2.140800 | ||
| NORM | .999994 | < R > | 3.414649 | < R2 > | 13.111331 | < 1/R > | .423383 | < 1/R**2 > | .625366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.162045 | 1.08178422 |
| 2 | 3p | 7.538735 | -.09701269 |
| 3 | 2p | 14.912477 | .01478167 |
| 4 | 5p | 18.299476 | .00282750 |
| 5 | 4p | 32.545718 | -.00014843 |
| 6 | 5p | 5.828323 | .00278338 |
| 7 | 4p | 4.652765 | -.00054536 |
| ORB.ENERGY,a.u. | -17.228000 | ||
| NORM | 1.000000 | < R > | .396596 | < R2 > | .190394 | < 1/R > | 3.187293 | < 1/R**2 > | 13.748404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.945695 | .37298560 |
| 2 | 2s | 5.663748 | -.80931501 |
| 3 | 3s | 8.196428 | -.28182354 |
| 4 | 4s | 28.308835 | .00128372 |
| 5 | 5s | 15.923329 | -.01109101 |
| 6 | 5s | 6.276195 | .01771516 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456560 | < R2 > | .243900 | < 1/R > | 3.211777 | < 1/R**2 > | 41.723787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.164219 | .93074172 |
| 2 | 1s | 21.831650 | .06907356 |
| 3 | 2s | 12.775644 | .01918311 |
| 4 | 3s | 15.843429 | -.01663725 |
| 5 | 4s | 71.994093 | -.00007426 |
| 6 | 5s | 34.379845 | .00070023 |
| 7 | 4s | 4.690058 | .00002001 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102976 | < R2 > | .014206 | < 1/R > | 14.647524 | < 1/R**2 > | 431.975395 |
Total Energy= -278.21859530 a.u.
Kinetic Energy= 278.23507663 a.u.
Potential Energy= -556.45367194 a.u.
Virial Ratio = -1.99994076