(1s 2 2s 2 2p 1 5p 1 ) 3 D Al 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 3.807075 | .33286729 |
| 2 | 3p | 1.930397 | -3.10424783 |
| 3 | 4p | 1.667738 | 8.27099462 |
| 4 | 5p | 1.674209 | -6.39992385 |
| 5 | 2p | 8.172562 | .03694565 |
| 6 | 5p | 2.326719 | .24914171 |
| 7 | 5p | 13.262946 | .00322399 |
| 8 | 4p | 30.578834 | -.00012197 |
| ORB.ENERGY,a.u. | -1.383200 | ||
| NORM | .999996 | < R > | 4.225706 | < R2 > | 20.076167 | < 1/R > | .341241 | < 1/R**2 > | .409125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.181654 | 1.08428336 |
| 2 | 3p | 6.443908 | -.10432241 |
| 3 | 2p | 12.180226 | .01899722 |
| 4 | 5p | 14.149969 | .00328930 |
| 5 | 4p | 25.728941 | -.00070614 |
| 6 | 5p | 5.313522 | .00499457 |
| 7 | 5p | 77.382184 | -.00001585 |
| ORB.ENERGY,a.u. | -11.814000 | ||
| NORM | 1.000000 | < R > | .471998 | < R2 > | .270114 | < 1/R > | 2.683787 | < 1/R**2 > | 9.775040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 2s | 4.738732 | -.80252442 |
| 2 | 3s | 7.007889 | -.27865326 |
| 3 | 4s | 24.549108 | .00147360 |
| 4 | 5s | 13.658767 | -.01292116 |
| 5 | 5s | 5.280814 | .01928579 |
| 6 | 1s | 11.335097 | .35685826 |
| ORB.ENERGY,a.u. | -11.507000 | ||
| NORM | 1.000000 | < R > | .538832 | < R2 > | .340005 | < 1/R > | 2.711474 | < 1/R**2 > | 29.764208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.174352 | .92353272 |
| 2 | 1s | 18.813471 | .07740806 |
| 3 | 2s | 11.013209 | .01806353 |
| 4 | 3s | 13.757440 | -.01647594 |
| 5 | 4s | 67.880761 | -.00005747 |
| 6 | 5s | 30.147815 | .00101070 |
| 7 | 5s | 7.618896 | .00006688 |
| ORB.ENERGY,a.u. | -67.248000 |
| NORM | 1.000000 | < R > | .119337 | < R2 > | .019091 | < 1/R > | 12.649777 | < 1/R**2 > | 322.500096 |
Total Energy= -205.14443266 a.u.
Kinetic Energy= 205.15250083 a.u.
Potential Energy= -410.29693349 a.u.
Virial Ratio = -1.99996067