(1s 2 2s 2 2p 6 3s 2 4s 1 ) 2 S Al 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 11.552198 | .02041310 |
| 2 | 2s | 3.736813 | -.09001005 |
| 3 | 3s | 1.647209 | .17118865 |
| 4 | 4s | .544043 | -1.94088289 |
| 5 | 5s | .616584 | .88489552 |
| 6 | 5s | 10.521990 | -.00454130 |
| 7 | 2s | .859899 | .18144717 |
| 8 | 4s | 12.603178 | -.00423801 |
| 9 | 2s | 23.929216 | .00010114 |
| ORB.ENERGY,a.u. | -.097110 | ||
| NORM | 1.000000 | < R > | 7.988517 | < R2 > | 71.658763 | < 1/R > | .155047 | < 1/R**2 > | .129961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .984182 | 2.16548946 |
| 2 | 1s | 14.871413 | .01419697 |
| 3 | 2s | 4.699401 | -.86306081 |
| 4 | 3s | 2.311930 | -.56312556 |
| 5 | 4s | 4.054149 | -.38091058 |
| 6 | 5s | 6.310792 | -.07119199 |
| 7 | 4s | .382053 | .00130164 |
| 8 | 3s | 37.631173 | -.00005019 |
| ORB.ENERGY,a.u. | -.473950 | ||
| NORM | 1.000000 | < R > | 2.436237 | < R2 > | 6.843603 | < 1/R > | .538904 | < 1/R**2 > | 1.557602 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 13.565250 | .01228444 |
| 2 | 5p | 10.729671 | -.01039392 |
| 3 | 2p | 6.100393 | .54433967 |
| 4 | 3p | 4.698650 | .43372947 |
| 5 | 4p | 3.859298 | .12441953 |
| 6 | 5p | 3.082606 | .01037602 |
| 7 | 3p | 34.600245 | .00004026 |
| 8 | 4p | 1.709805 | .00061007 |
| ORB.ENERGY,a.u. | -3.027200 | ||
| NORM | 1.000000 | < R > | .600490 | < R2 > | .455253 | < 1/R > | 2.205288 | < 1/R**2 > | 6.916906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.548509 | .34435447 |
| 2 | 2s | 4.447643 | -.77009033 |
| 3 | 3s | 3.927839 | -.17100569 |
| 4 | 3s | 12.620416 | .01452986 |
| 5 | 2s | 6.195859 | -.18833487 |
| 6 | 4s | 21.152387 | .00197548 |
| 7 | 5s | 3.512884 | -.00363736 |
| 8 | 5s | 89.959739 | -.00000449 |
| 9 | 4s | 2.332828 | .00030639 |
| ORB.ENERGY,a.u. | -4.716900 | ||
| NORM | 1.000000 | < R > | .619562 | < R2 > | .458126 | < 1/R > | 2.350689 | < 1/R**2 > | 22.827844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586524 | 1.01574949 |
| 2 | 2s | 17.924773 | -.02458707 |
| 3 | 3s | 8.778936 | .02363924 |
| 4 | 4s | 41.166607 | -.00021204 |
| 5 | 4s | 29.415763 | .00036666 |
| 6 | 2s | 65.710408 | .00002892 |
| 7 | 5s | 10.829084 | -.00904932 |
| 8 | 3s | 4.258743 | .00027370 |
| 9 | 2s | 122.858865 | -.00000032 |
| ORB.ENERGY,a.u. | -57.648000 |
| NORM | 1.000000 | < R > | .120254 | < R2 > | .019457 | < 1/R > | 12.589520 | < 1/R**2 > | 320.139632 |
Total Energy= -241.77168786 a.u.
Kinetic Energy= 241.77168242 a.u.
Potential Energy= -483.54337028 a.u.
Virial Ratio = -2.00000002