(1s 2 2s 2 2p 1 5s 1 ) 1 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 10.392472 | .07859958 |
| 2 | 2s | 2.117513 | -1.83120060 |
| 3 | 3s | 2.387585 | 3.83133959 |
| 4 | 4s | 1.620031 | -8.80174191 |
| 5 | 5s | 1.687112 | 7.70289870 |
| 6 | 5s | 15.834322 | -.00352660 |
| 7 | 4s | 8.101277 | -.02266274 |
| 8 | 5s | 1.328743 | -.02005852 |
| 9 | 4s | 27.910116 | -.00009863 |
| ORB.ENERGY,a.u. | -1.437900 | ||
| NORM | 1.000004 | < R > | 4.185010 | < R2 > | 19.598679 | < 1/R > | .344282 | < 1/R**2 > | 1.146292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.175981 | 1.08147244 |
| 2 | 3p | 6.405910 | -.09982815 |
| 3 | 2p | 12.506936 | .01823177 |
| 4 | 5p | 15.937437 | .00271830 |
| 5 | 4p | 24.982984 | -.00041038 |
| 6 | 5p | 5.130190 | .00460355 |
| 7 | 5p | 67.622897 | -.00001148 |
| ORB.ENERGY,a.u. | -11.802000 | ||
| NORM | 1.000000 | < R > | .472461 | < R2 > | .270628 | < 1/R > | 2.681138 | < 1/R**2 > | 9.756567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.629927 | .34379988 |
| 2 | 2s | 4.308061 | -.82750472 |
| 3 | 3s | 7.258249 | -.32485021 |
| 4 | 4s | 4.750093 | .11700806 |
| 5 | 5s | 14.845567 | -.01109336 |
| 6 | 5s | 1.493760 | .02654963 |
| 7 | 4s | 1.325071 | -.02594926 |
| 8 | 3s | 49.360380 | -.00038587 |
| 9 | 5s | 81.698795 | .00015861 |
| 10 | 4s | 118.074718 | .00004436 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538306 | < R2 > | .339481 | < 1/R > | 2.714716 | < 1/R**2 > | 29.833073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.172656 | .92276026 |
| 2 | 1s | 18.732314 | .07842586 |
| 3 | 2s | 10.624893 | .01826489 |
| 4 | 3s | 13.434976 | -.01684667 |
| 5 | 4s | 65.738682 | -.00006460 |
| 6 | 5s | 30.198772 | .00091506 |
| 7 | 5s | 2.149590 | .00117685 |
| 8 | 3s | 1.190898 | -.00123116 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119335 | < R2 > | .019093 | < 1/R > | 12.649991 | < 1/R**2 > | 322.508499 |
Total Energy= -205.21215565 a.u.
Kinetic Energy= 205.20625326 a.u.
Potential Energy= -410.41840891 a.u.
Virial Ratio = -2.00002876