(1s 2 2s 2 2p 6 3s 1 5p 1 ) 1 P Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 3.947886 | .10098897 |
| 2 | 3p | 1.086742 | -.17606992 |
| 3 | 4p | .610127 | 1.98763983 |
| 4 | 5p | .479290 | -1.85505915 |
| 5 | 2p | 11.170950 | .00361288 |
| 6 | 2p | .542516 | -.60923199 |
| 7 | 4p | 6.618128 | -.01804278 |
| ORB.ENERGY,a.u. | -.110440 | ||
| NORM | 1.000008 | < R > | 13.029892 | < R2 > | 192.582591 | < 1/R > | .112392 | < 1/R**2 > | .053516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.168633 | -.01385567 |
| 2 | 1s | 5.097925 | .22968463 |
| 3 | 1s | 13.150208 | .01531186 |
| 4 | 2s | 6.041828 | -.36946478 |
| 5 | 3s | 1.509648 | .78413553 |
| 6 | 4s | 2.356838 | .26133670 |
| 7 | 5s | 5.862501 | -.07667007 |
| 8 | 4s | 6.879505 | -.06213862 |
| 9 | 3s | 28.226243 | -.00050455 |
| 10 | 2s | 36.531292 | -.00013017 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.251981 | < R2 > | 5.782285 | < 1/R > | .585471 | < 1/R**2 > | 1.894529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.188629 | .52791173 |
| 2 | 3p | 4.980209 | .39060826 |
| 3 | 4p | 4.316559 | .16808841 |
| 4 | 5p | 3.600342 | .03124838 |
| 5 | 2p | 13.591619 | .01202609 |
| 6 | 5p | 10.747916 | -.00987076 |
| 7 | 4p | 46.769204 | .00002946 |
| 8 | 3p | .596335 | .00223526 |
| 9 | 5p | .896447 | -.00208580 |
| 10 | 3p | 67.809287 | .00000387 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .598704 | < R2 > | .451845 | < 1/R > | 2.209464 | < 1/R**2 > | 6.938123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.690969 | .33731245 |
| 2 | 2s | 5.116836 | -.79681909 |
| 3 | 3s | 4.184368 | -.33032400 |
| 4 | 4s | 17.138622 | .00814572 |
| 5 | 3s | 19.379906 | .00273735 |
| 6 | 2s | .911816 | -.02115553 |
| 7 | 5s | 34.650049 | .00025515 |
| 8 | 4s | 1.245959 | .04020733 |
| 9 | 5s | 1.418085 | -.02378087 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .619923 | < R2 > | .458746 | < 1/R > | 2.349410 | < 1/R**2 > | 22.804754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586522 | 1.01574586 |
| 2 | 2s | 17.929677 | -.02459126 |
| 3 | 3s | 8.782767 | .02362775 |
| 4 | 4s | 40.861303 | -.00021270 |
| 5 | 4s | 29.524609 | .00036482 |
| 6 | 2s | 64.255225 | .00003101 |
| 7 | 5s | 10.826904 | -.00904178 |
| 8 | 3s | 4.472402 | .00028967 |
| 9 | 2s | 141.807601 | -.00000018 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120256 | < R2 > | .019458 | < 1/R > | 12.589415 | < 1/R**2 > | 320.136545 |
Total Energy= -241.14780333 a.u.
Kinetic Energy= 241.14114769 a.u.
Potential Energy= -482.28895103 a.u.
Virial Ratio = -2.00002760