(1s 2 2s 1 5s 1 ) 3 S Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 7.896002 | .13357477 |
| 2 | 2s | 1.812520 | -5.25693396 |
| 3 | 3s | 2.522996 | 7.96859600 |
| 4 | 4s | 2.118054 | -7.92415322 |
| 5 | 5s | 2.051421 | 6.20675858 |
| 6 | 5s | 8.897381 | -.00239687 |
| 7 | 1s | 19.340159 | .00326840 |
| 8 | 4s | 38.829774 | -.00010453 |
| ORB.ENERGY,a.u. | -2.120800 | ||
| NORM | .999999 | < R > | 3.545513 | < R2 > | 14.068470 | < 1/R > | .413763 | < 1/R**2 > | 1.691476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.716827 | .41326284 |
| 2 | 2s | 5.529538 | -.79562103 |
| 3 | 3s | 6.562888 | -.30335383 |
| 4 | 5s | 11.314391 | -.02701513 |
| 5 | 4s | 22.698892 | .00753003 |
| 6 | 5s | 29.995729 | -.00196186 |
| 7 | 4s | 78.346408 | .00002581 |
| ORB.ENERGY,a.u. | -15.874000 | ||
| NORM | 1.000000 | < R > | .511478 | < R2 > | .305105 | < 1/R > | 2.876374 | < 1/R**2 > | 33.370586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.433649 | .94045505 |
| 2 | 1s | 20.021341 | .04910693 |
| 3 | 2s | 15.102508 | .01472214 |
| 4 | 3s | 9.382167 | .00209672 |
| 5 | 4s | 47.475649 | -.00063708 |
| 6 | 5s | 59.927733 | .00019235 |
| 7 | 5s | 3.984980 | .00010988 |
| 8 | 3s | 83.243935 | -.00002305 |
| 9 | 4s | .988515 | -.00011451 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .118998 | < R2 > | .018965 | < 1/R > | 12.674765 | < 1/R**2 > | 323.525828 |
Total Energy= -179.29926532 a.u.
Kinetic Energy= 179.30473791 a.u.
Potential Energy= -358.60400323 a.u.
Virial Ratio = -1.99996948