(1s 2 2s 2 2p 6 3s 1 5s 1 ) 1 S Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 10.338050 | .01356863 |
| 2 | 2s | 5.202501 | -.03350953 |
| 3 | 3s | 1.392256 | .24078948 |
| 4 | 4s | .775303 | -1.67199922 |
| 5 | 5s | .553367 | 1.24284523 |
| 6 | 5s | 13.032507 | -.00144805 |
| 7 | 4s | 5.581702 | -.01628917 |
| 8 | 3s | .517082 | .70178201 |
| ORB.ENERGY,a.u. | -.138920 | ||
| NORM | .999999 | < R > | 10.880271 | < R2 > | 131.654957 | < 1/R > | .112893 | < 1/R**2 > | .048658 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .601891 | 1.28385341 |
| 2 | 1s | 11.264140 | .07280412 |
| 3 | 2s | 4.365152 | -.52834346 |
| 4 | 3s | .828881 | -.62389795 |
| 5 | 4s | 2.002467 | .39982848 |
| 6 | 5s | 13.845215 | -.00472516 |
| 7 | 4s | 4.083337 | -.15797812 |
| 8 | 3s | 50.192867 | -.00002813 |
| 9 | 5s | .539899 | .09626206 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.237847 | < R2 > | 6.200389 | < 1/R > | .599680 | < 1/R**2 > | 2.000492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.186133 | .52714065 |
| 2 | 3p | 4.988686 | .39048470 |
| 3 | 4p | 4.323565 | .16743457 |
| 4 | 5p | 3.647995 | .03160252 |
| 5 | 2p | 13.533280 | .01237125 |
| 6 | 5p | 10.659426 | -.01025935 |
| 7 | 4p | 53.034555 | .00001865 |
| 8 | 3p | 1.978420 | .00158931 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .598751 | < R2 > | .451923 | < 1/R > | 2.209346 | < 1/R**2 > | 6.937517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.775795 | .33338448 |
| 2 | 2s | 5.107183 | -.79641439 |
| 3 | 3s | 4.190426 | -.32385383 |
| 4 | 4s | 17.321614 | .01136451 |
| 5 | 3s | 27.283370 | .00236474 |
| 6 | 2s | 2.223291 | -.01098076 |
| 7 | 5s | 29.808135 | .00132491 |
| 8 | 4s | .485386 | .00044181 |
| 9 | 5s | 1.057219 | -.00047356 |
| 10 | 2s | 52.120701 | .00008211 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .619824 | < R2 > | .458592 | < 1/R > | 2.349764 | < 1/R**2 > | 22.811122 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586560 | 1.01574463 |
| 2 | 2s | 17.928604 | -.02458947 |
| 3 | 3s | 8.784104 | .02362231 |
| 4 | 4s | 40.945235 | -.00021276 |
| 5 | 4s | 29.550337 | .00036481 |
| 6 | 2s | 64.428692 | .00003084 |
| 7 | 5s | 10.828767 | -.00903949 |
| 8 | 3s | 4.446676 | .00029190 |
| 9 | 2s | 122.504898 | -.00000026 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120255 | < R2 > | .019458 | < 1/R > | 12.589469 | < 1/R**2 > | 320.138568 |
Total Energy= -241.17155692 a.u.
Kinetic Energy= 241.16953937 a.u.
Potential Energy= -482.34109629 a.u.
Virial Ratio = -2.00000837