(1s 2 2s 1 5s 1 ) 1 S P 11+
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 | 1.738063 | 1.09264047 |
| 2 | 2s | 2.031883 | -9.31299942 |
| 3 | 3s | 3.005120 | 9.91068990 |
| 4 | 4s | 2.343384 | -9.12428563 |
| 5 | 5s | 2.424996 | 8.97626293 |
| 6 | 5s | 5.327674 | -.02292998 |
| 7 | 1s | 18.395964 | .00592993 |
| 8 | 5s | 18.160057 | -.00323178 |
| 9 | 4s | 12.626217 | .00968847 |
| ORB.ENERGY,a.u. | -3.013000 | ||
| NORM | 1.000002 | < R > | 2.989225 | < R2 > | 10.001606 | < 1/R > | .456905 | < 1/R**2 > | 1.347171 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.007265 | .35366954 |
| 2 | 2s | 3.939198 | -.83889616 |
| 3 | 3s | 8.929390 | -.58002810 |
| 4 | 4s | 5.059353 | .47069299 |
| 5 | 5s | 2.080842 | .84013795 |
| 6 | 5s | 23.081225 | -.00476897 |
| 7 | 4s | 1.797815 | -1.03381526 |
| 8 | 4s | 34.426809 | -.00329962 |
| 9 | 3s | 1.408524 | .20578628 |
| 10 | 3s | 47.940219 | -.00120444 |
| 11 | 2s | 67.473199 | -.00016301 |
| ORB.ENERGY,a.u. | -22.029000 | ||
| NORM | 1.000000 | < R > | .441261 | < R2 > | .252805 | < 1/R > | 3.411829 | < 1/R**2 > | 46.987030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.420652 | .93927835 |
| 2 | 1s | 23.018390 | .04821464 |
| 3 | 2s | 17.692526 | .01668156 |
| 4 | 3s | 10.664604 | .00189118 |
| 5 | 4s | 58.984642 | -.00049033 |
| 6 | 5s | 78.179515 | .00018103 |
| 7 | 5s | 5.980674 | .00267853 |
| 8 | 4s | 4.781309 | -.00271404 |
| 9 | 3s | 1.154554 | .00023918 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102701 | < R2 > | .014118 | < 1/R > | 14.674830 | < 1/R**2 > | 433.273234 |
Total Energy= -241.16013824 a.u.
Kinetic Energy= 241.14851666 a.u.
Potential Energy= -482.30865490 a.u.
Virial Ratio = -2.00004819