(1s 2 3s 1 ) 2 S Na 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 8.055140 | .25520545 |
| 2 | 2s | 3.621114 | -1.19470151 |
| 3 | 3s | 3.006058 | 1.86082292 |
| 4 | 4s | 5.375904 | -.23128797 |
| 5 | 5s | 9.473827 | -.03636240 |
| 6 | 5s | 2.209513 | -.00970159 |
| 7 | 4s | 19.727217 | .00290563 |
| 8 | 5s | 47.960843 | .00009503 |
| 9 | 4s | 1.643184 | .00557998 |
| 10 | 2s | .714578 | -.00059189 |
| 11 | 3s | 45.230516 | .00005947 |
| ORB.ENERGY,a.u. | -4.749400 | ||
| NORM | 1.000000 | < R > | 1.425050 | < R2 > | 2.306172 | < 1/R > | 1.034111 | < 1/R**2 > | 6.446697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.459438 | .93810549 |
| 2 | 1s | 17.433694 | .05003304 |
| 3 | 2s | 13.405150 | .01651383 |
| 4 | 3s | 11.070808 | .00359682 |
| 5 | 4s | 18.146494 | -.00204498 |
| 6 | 5s | 22.404352 | .00082051 |
| 7 | 3s | 28.345820 | -.00080947 |
| 8 | 5s | 3.287188 | -.00008263 |
| ORB.ENERGY,a.u. | -52.819000 |
| NORM | 1.000000 | < R > | .141238 | < R2 > | .026720 | < 1/R > | 10.684859 | < 1/R**2 > | 230.132844 |
Total Energy= -118.97935550 a.u.
Kinetic Energy= 118.97935764 a.u.
Potential Energy= -237.95871314 a.u.
Virial Ratio = -1.99999998