(1s 2 3s 1 ) 2 S Al 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 9.303489 | .27252855 |
| 2 | 2s | 4.225431 | -1.35227532 |
| 3 | 3s | 3.676344 | 1.98898279 |
| 4 | 4s | 6.523683 | -.21084662 |
| 5 | 5s | 11.457869 | -.03140680 |
| 6 | 5s | 2.738589 | -.00711299 |
| 7 | 4s | 26.589709 | .00286921 |
| 8 | 5s | 36.356408 | -.00087318 |
| 9 | 4s | 2.139267 | .00370143 |
| 10 | 3s | 76.332252 | .00001757 |
| ORB.ENERGY,a.u. | -7.036400 | ||
| NORM | 1.000000 | < R > | 1.176070 | < R2 > | 1.570710 | < 1/R > | 1.256689 | < 1/R**2 > | 9.519525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.429509 | .93858067 |
| 2 | 1s | 20.229114 | .04986218 |
| 3 | 2s | 15.709727 | .01651170 |
| 4 | 3s | 13.158380 | .00206149 |
| 5 | 4s | 21.049448 | -.00153649 |
| 6 | 5s | 26.749670 | .00057883 |
| 7 | 3s | 33.500776 | -.00066192 |
| 8 | 5s | 4.006930 | -.00007361 |
| ORB.ENERGY,a.u. | -75.439000 |
| NORM | 1.000000 | < R > | .118856 | < R2 > | .018909 | < 1/R > | 12.684709 | < 1/R**2 > | 323.938208 |
Total Energy= -168.00929699 a.u.
Kinetic Energy= 168.00930060 a.u.
Potential Energy= -336.01859759 a.u.
Virial Ratio = -1.99999998