(1s 2 2s 2 2p 2 ) 3 P Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 5.016211 | 1.09473076 |
| 2 | 3p | 6.432060 | -.12048667 |
| 3 | 2p | 12.049438 | .02132929 |
| 4 | 5p | 14.972231 | .00392425 |
| 5 | 4p | 28.641489 | -.00025400 |
| 6 | 5p | 5.225106 | .01791537 |
| 7 | 5p | 94.155348 | -.00000325 |
| 8 | 4p | 4.781502 | -.00493267 |
| ORB.ENERGY,a.u. | -10.466000 | ||
| NORM | 1.000000 | < R > | .490295 | < R2 > | .292682 | < 1/R > | 2.596599 | < 1/R**2 > | 9.204383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234262 | .35162879 |
| 2 | 2s | 4.768188 | -.81586653 |
| 3 | 3s | 6.348873 | -.28411679 |
| 4 | 4s | 24.473478 | .00117165 |
| 5 | 5s | 14.124260 | -.01064259 |
| 6 | 5s | 7.986055 | .03259433 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .553231 | < R2 > | .359331 | < 1/R > | 2.636596 | < 1/R**2 > | 28.257927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.209306 | .93613246 |
| 2 | 1s | 19.309040 | .06547338 |
| 3 | 2s | 10.587346 | .01585791 |
| 4 | 3s | 14.518683 | -.01422081 |
| 5 | 4s | 68.151693 | -.00005921 |
| 6 | 5s | 29.689852 | .00106782 |
| 7 | 5s | 8.430163 | .00028713 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119594 | < R2 > | .019192 | < 1/R > | 12.632501 | < 1/R**2 > | 321.818905 |
Total Energy= -214.23049081 a.u.
Kinetic Energy= 214.23046584 a.u.
Potential Energy= -428.46095665 a.u.
Virial Ratio = -2.00000012