(1s 2 2s 1 5s 1 ) 1 S Na 7+
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 | 1.098572 | .90503929 |
| 2 | 2s | 1.394609 | -7.74213094 |
| 3 | 3s | 2.079097 | 8.29199630 |
| 4 | 4s | 1.618679 | -7.35252327 |
| 5 | 5s | 1.639732 | 7.25098334 |
| 6 | 5s | 6.054058 | -.00445727 |
| 7 | 1s | 11.089568 | .01661135 |
| 8 | 5s | 25.664122 | .00044244 |
| 9 | 4s | 1.075285 | -.01506810 |
| 10 | 4s | 42.692616 | .00003103 |
| ORB.ENERGY,a.u. | -1.363700 | ||
| NORM | 1.000003 | < R > | 4.400631 | < R2 > | 21.670320 | < 1/R > | .308173 | < 1/R**2 > | .587364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.510593 | .32592775 |
| 2 | 2s | 2.680398 | -.79144195 |
| 3 | 3s | 6.259554 | -.61034486 |
| 4 | 4s | 3.509030 | .45196386 |
| 5 | 5s | 1.405925 | .87800498 |
| 6 | 5s | 13.719616 | -.00622243 |
| 7 | 4s | 1.213901 | -1.17997281 |
| 8 | 4s | 29.377944 | -.00032316 |
| 9 | 3s | .979375 | .32317786 |
| 10 | 3s | 39.574257 | -.00011117 |
| 11 | 2s | 79.283852 | -.00000207 |
| ORB.ENERGY,a.u. | -10.707000 | ||
| NORM | 1.000000 | < R > | .623059 | < R2 > | .505861 | < 1/R > | 2.398146 | < 1/R**2 > | 23.242861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.419671 | .93498589 |
| 2 | 1s | 17.083072 | .05522312 |
| 3 | 2s | 13.191976 | .01462218 |
| 4 | 3s | 7.975927 | .00207560 |
| 5 | 4s | 42.811250 | -.00067612 |
| 6 | 5s | 56.662351 | .00025192 |
| 7 | 5s | 4.236030 | .00050461 |
| 8 | 4s | 2.135853 | -.00062299 |
| 9 | 3s | .936533 | .00044121 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141419 | < R2 > | .026808 | < 1/R > | 10.675889 | < 1/R**2 > | 229.818411 |
Total Energy= -126.60289568 a.u.
Kinetic Energy= 126.59545804 a.u.
Potential Energy= -253.19835373 a.u.
Virial Ratio = -2.00005875