(1s 2 2s 2 5s 1 ) 2 S S 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 11.822473 | .10753563 |
| 2 | 2s | 2.711653 | -2.61574532 |
| 3 | 3s | 2.704266 | 9.50843414 |
| 4 | 4s | 2.737244 | -11.01038286 |
| 5 | 5s | 2.456237 | 4.56034222 |
| 6 | 5s | 18.005771 | -.00517264 |
| 7 | 4s | 8.954457 | -.04776676 |
| 8 | 5s | 1.043551 | -.00025465 |
| ORB.ENERGY,a.u. | -3.087600 | ||
| NORM | .999999 | < R > | 2.924086 | < R2 > | 9.569726 | < 1/R > | .501572 | < 1/R**2 > | 2.497111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.402795 | .40369608 |
| 2 | 2s | 6.701791 | -.76561651 |
| 3 | 3s | 8.267112 | -.32845104 |
| 4 | 5s | 15.569890 | -.01721065 |
| 5 | 4s | 30.533186 | .00120848 |
| 6 | 5s | 6.271066 | -.00488302 |
| 7 | 5s | 20.198614 | -.00305172 |
| 8 | 4s | 4.520613 | .00300909 |
| 9 | 3s | 2.365664 | -.00042708 |
| ORB.ENERGY,a.u. | -23.400000 | ||
| NORM | 1.000000 | < R > | .415255 | < R2 > | .201378 | < 1/R > | 3.542397 | < 1/R**2 > | 50.541353 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.141601 | .93500826 |
| 2 | 1s | 23.981876 | .06394311 |
| 3 | 2s | 16.453460 | .01967858 |
| 4 | 3s | 18.413262 | -.01675786 |
| 5 | 5s | 37.358255 | .00094951 |
| 6 | 4s | 86.445009 | -.00004250 |
| 7 | 5s | 18.717663 | -.00081970 |
| ORB.ENERGY,a.u. | -112.040000 |
| NORM | 1.000000 | < R > | .096146 | < R2 > | .012369 | < 1/R > | 15.670165 | < 1/R**2 > | 493.871481 |
Total Energy= -298.76062266 a.u.
Kinetic Energy= 298.76064213 a.u.
Potential Energy= -597.52126479 a.u.
Virial Ratio = -1.99999993