(1s 2 2s 2 2p 3 5s 1 ) 5 S Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 9.042795 | .05141039 |
| 2 | 2s | 3.375958 | -.21905704 |
| 3 | 3s | 1.246140 | 2.07233424 |
| 4 | 4s | 1.189340 | -3.41659572 |
| 5 | 5s | .895757 | 2.11617762 |
| 6 | 5s | 4.685501 | -.01290095 |
| 7 | 4s | 8.250970 | -.01151574 |
| 8 | 4s | .572440 | -.09232534 |
| 9 | 5s | 50.833394 | -.00001972 |
| 10 | 3s | .396215 | .02518303 |
| 11 | 2s | 18.081468 | -.00013523 |
| ORB.ENERGY,a.u. | -.419210 | ||
| NORM | .999999 | < R > | 7.185089 | < R2 > | 57.784756 | < 1/R > | .198049 | < 1/R**2 > | .397625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.766166 | 1.49473886 |
| 2 | 3p | 4.888695 | -.64142563 |
| 3 | 4p | 6.070626 | .13880516 |
| 4 | 5p | 18.394336 | -.00343880 |
| 5 | 4p | 2.573331 | .01761143 |
| 6 | 4p | 24.245551 | -.00157822 |
| 7 | 5p | 2.577991 | -.00752330 |
| 8 | 3p | 33.848184 | -.00013701 |
| ORB.ENERGY,a.u. | -4.890500 | ||
| NORM | 1.000000 | < R > | .644820 | < R2 > | .511801 | < 1/R > | 1.999958 | < 1/R**2 > | 5.543206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.783556 | .30952580 |
| 2 | 2s | 3.531829 | -.75604985 |
| 3 | 3s | 6.341356 | -.26145901 |
| 4 | 4s | 17.593063 | .00297194 |
| 5 | 5s | 5.892259 | -.05499024 |
| 6 | 4s | .850997 | .03511594 |
| 7 | 5s | .927568 | -.03439550 |
| 8 | 2s | 15.161063 | -.00253358 |
| 9 | 3s | 1.372829 | -.00484110 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .703801 | < R2 > | .586381 | < 1/R > | 2.060275 | < 1/R**2 > | 17.354665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.164602 | .90194125 |
| 2 | 1s | 15.445671 | .09830574 |
| 3 | 2s | 8.453394 | .01738583 |
| 4 | 3s | 12.242266 | -.01540276 |
| 5 | 4s | 19.385075 | .00387230 |
| 6 | 5s | 35.628360 | .00023236 |
| 7 | 5s | 6.598238 | .00046158 |
| 8 | 4s | 1.086852 | -.00215348 |
| 9 | 3s | .795008 | .00219192 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142447 | < R2 > | .027284 | < 1/R > | 10.625616 | < 1/R**2 > | 228.124885 |
Total Energy= -154.27105663 a.u.
Kinetic Energy= 154.27424207 a.u.
Potential Energy= -308.54529870 a.u.
Virial Ratio = -1.99997935