(1s 2 2s 2 2p 4 4s 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 10.286402 | .04369396 |
| 2 | 2s | 1.413577 | -.93311314 |
| 3 | 3s | 1.543349 | 1.96920053 |
| 4 | 4s | .926738 | -1.47435086 |
| 5 | 5s | 2.274561 | -.23923032 |
| 6 | 4s | 7.498896 | -.03713413 |
| 7 | 5s | 13.462504 | -.00843870 |
| 8 | 5s | .892817 | .12603571 |
| 9 | 4s | 17.667970 | -.00309659 |
| 10 | 5s | 42.571161 | -.00002839 |
| 11 | 2s | 38.485298 | .00004826 |
| ORB.ENERGY,a.u. | -.431340 | ||
| NORM | .999999 | < R > | 5.259420 | < R2 > | 31.095651 | < 1/R > | .256056 | < 1/R**2 > | .447882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.206556 | 1.36194217 |
| 2 | 3p | 3.904210 | -.42569699 |
| 3 | 2p | 8.666319 | .06041042 |
| 4 | 4p | 9.879566 | .01782511 |
| 5 | 5p | 27.092518 | .00010408 |
| 6 | 5p | 2.510281 | .02441941 |
| 7 | 4p | 43.770165 | .00003962 |
| 8 | 4p | 2.233435 | -.02708520 |
| ORB.ENERGY,a.u. | -3.291800 | ||
| NORM | 1.000000 | < R > | .689952 | < R2 > | .593027 | < 1/R > | 1.894662 | < 1/R**2 > | 5.047133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.992328 | .29020652 |
| 2 | 2s | 3.362767 | -.76441078 |
| 3 | 3s | 6.102076 | -.24112565 |
| 4 | 4s | 4.775559 | -.04545286 |
| 5 | 5s | 12.528175 | -.01186706 |
| 6 | 5s | 1.073451 | -.01752426 |
| 7 | 3s | .524325 | .03640448 |
| 8 | 3s | 41.567198 | -.00013558 |
| 9 | 4s | 68.825637 | .00003401 |
| 10 | 4s | .588262 | -.02675742 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .726589 | < R2 > | .627962 | < 1/R > | 1.994926 | < 1/R**2 > | 16.335454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.245722 | .91197824 |
| 2 | 1s | 15.485907 | .08636113 |
| 3 | 2s | 6.430493 | .01603792 |
| 4 | 3s | 8.309296 | -.01478577 |
| 5 | 4s | 10.108149 | .00770420 |
| 6 | 5s | 26.523405 | .00120144 |
| 7 | 4s | 63.182253 | -.00003910 |
| 8 | 5s | 1.123748 | .00082332 |
| 9 | 4s | 1.127351 | -.00055416 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142642 | < R2 > | .027378 | < 1/R > | 10.616824 | < 1/R**2 > | 227.838043 |
Total Energy= -157.86023385 a.u.
Kinetic Energy= 157.85474591 a.u.
Potential Energy= -315.71497977 a.u.
Virial Ratio = -2.00003477