(1s 2 2s 2 2p 4 5s 1 ) 4 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 9.554629 | .03679602 |
| 2 | 2s | 3.142881 | -.15905104 |
| 3 | 3s | 1.332366 | .82762785 |
| 4 | 4s | .893281 | -2.17478747 |
| 5 | 5s | .729163 | 2.09432052 |
| 6 | 5s | 9.443508 | -.01075803 |
| 7 | 4s | 12.205771 | -.00459155 |
| 8 | 5s | 43.170431 | -.00004911 |
| ORB.ENERGY,a.u. | -.254870 | ||
| NORM | .999996 | < R > | 8.864266 | < R2 > | 88.013813 | < 1/R > | .158495 | < 1/R**2 > | .247184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.197900 | 1.35228454 |
| 2 | 3p | 3.887541 | -.41917947 |
| 3 | 2p | 8.503127 | .06503753 |
| 4 | 4p | 9.639877 | .01816396 |
| 5 | 5p | 51.989509 | .00002316 |
| 6 | 5p | 2.558887 | .02734025 |
| 7 | 4p | 83.619558 | .00000386 |
| 8 | 4p | 2.277573 | -.03138024 |
| ORB.ENERGY,a.u. | -3.403700 | ||
| NORM | 1.000000 | < R > | .689502 | < R2 > | .592190 | < 1/R > | 1.895691 | < 1/R**2 > | 5.051970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.948756 | .29169022 |
| 2 | 2s | 3.357216 | -.79625020 |
| 3 | 3s | 6.174235 | -.21518931 |
| 4 | 4s | 5.212228 | -.03661989 |
| 5 | 5s | 12.319655 | -.01249230 |
| 6 | 5s | .686171 | -.00388860 |
| 7 | 4s | 1.105855 | .00689089 |
| 8 | 3s | 42.752455 | -.00017170 |
| 9 | 3s | 1.213879 | -.00553869 |
| 10 | 4s | 69.066240 | .00004970 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727856 | < R2 > | .630050 | < 1/R > | 1.991854 | < 1/R**2 > | 16.291185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123625 |
| 2 | 1s | 15.432276 | .08737207 |
| 3 | 2s | 5.644460 | .01839667 |
| 4 | 3s | 7.093454 | -.01930800 |
| 5 | 4s | 9.064242 | .00948013 |
| 6 | 5s | 26.251605 | .00115330 |
| 7 | 4s | 61.763011 | -.00004600 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142636 | < R2 > | .027371 | < 1/R > | 10.617088 | < 1/R**2 > | 227.846717 |
Total Energy= -157.67698637 a.u.
Kinetic Energy= 157.67844064 a.u.
Potential Energy= -315.35542701 a.u.
Virial Ratio = -1.99999078