(1s 2 2s 2 2p 5 3p 1 ) 1 S Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 2p | 2.614618 | .32859402 |
| 2 | 3p | 1.588996 | -1.14937585 |
| 3 | 4p | 5.141968 | -.01637828 |
| 4 | 2p | 8.177493 | .03279799 |
| 5 | 5p | 12.879148 | .00181329 |
| 6 | 4p | 30.798002 | -.00007638 |
| 7 | 5p | 1.348502 | -.00358064 |
| ORB.ENERGY,a.u. | -1.185900 | ||
| NORM | 1.000000 | < R > | 2.403703 | < R2 > | 6.453426 | < 1/R > | .491878 | < 1/R**2 > | .392421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.178418 | 1.73940070 |
| 2 | 3p | 5.389045 | -.92348416 |
| 3 | 4p | 6.783240 | .20236056 |
| 4 | 5p | 2.152343 | -.02507332 |
| 5 | 4p | 14.641494 | -.00699247 |
| 6 | 4p | 1.325609 | -.00339486 |
| 7 | 3p | 17.528089 | -.00310890 |
| 8 | 5p | 9.673069 | -.01889301 |
| 9 | 5p | 71.911665 | .00001511 |
| ORB.ENERGY,a.u. | -4.873000 | ||
| NORM | 1.000000 | < R > | .560214 | < R2 > | .389541 | < 1/R > | 2.320571 | < 1/R**2 > | 7.534977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.650015 | .34847753 |
| 2 | 2s | 5.131087 | -.82752367 |
| 3 | 3s | 4.350597 | -.30217679 |
| 4 | 4s | 16.366364 | .00523707 |
| 5 | 3s | 15.492729 | .00655129 |
| 6 | 5s | 32.030010 | .00041426 |
| 7 | 5s | 3.170367 | -.00096136 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602939 | < R2 > | .431632 | < 1/R > | 2.413435 | < 1/R**2 > | 23.967592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196529 | .91372185 |
| 2 | 1s | 18.085442 | .08394866 |
| 3 | 2s | 6.996559 | .01941941 |
| 4 | 3s | 8.829324 | -.02060307 |
| 5 | 4s | 11.171932 | .01075265 |
| 6 | 5s | 31.091091 | .00092353 |
| 7 | 4s | 71.233336 | -.00004197 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .120158 | < R2 > | .019418 | < 1/R > | 12.595571 | < 1/R**2 > | 320.375033 |
Total Energy= -236.87729099 a.u.
Kinetic Energy= 236.81385484 a.u.
Potential Energy= -473.69114583 a.u.
Virial Ratio = -2.00026787