(1s 2 2s 2 3s 1 ) 2 S P 10+
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 | 11.317205 | .22932758 |
| 2 | 2s | 4.386468 | -1.38055637 |
| 3 | 3s | 3.931331 | 1.94878505 |
| 4 | 4s | 8.430792 | -.07110113 |
| 5 | 5s | 15.388048 | -.01173017 |
| 6 | 4s | 29.526102 | .00066640 |
| 7 | 5s | 3.647840 | -.00336051 |
| 8 | 4s | 2.302678 | .00046600 |
| ORB.ENERGY,a.u. | -7.671500 | ||
| NORM | 1.000000 | < R > | 1.086622 | < R2 > | 1.336996 | < 1/R > | 1.331598 | < 1/R**2 > | 10.627562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.702447 | .39262838 |
| 2 | 2s | 6.027784 | -.79119711 |
| 3 | 3s | 8.146463 | -.29007898 |
| 4 | 5s | 9.938559 | -.01075703 |
| 5 | 4s | 28.730449 | .00296244 |
| 6 | 5s | 14.887493 | -.01406961 |
| 7 | 5s | 40.775829 | -.00049919 |
| 8 | 4s | 3.416892 | -.00068250 |
| ORB.ENERGY,a.u. | -19.736000 | ||
| NORM | 1.000000 | < R > | .447238 | < R2 > | .233810 | < 1/R > | 3.285639 | < 1/R**2 > | 43.516518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.190394 | .93862849 |
| 2 | 1s | 22.911064 | .05980923 |
| 3 | 2s | 15.674546 | .01967864 |
| 4 | 3s | 17.214616 | -.01648667 |
| 5 | 5s | 33.272322 | .00092793 |
| 6 | 4s | 73.047548 | -.00007726 |
| 7 | 5s | 5.090991 | -.00005261 |
| ORB.ENERGY,a.u. | -96.766000 |
| NORM | 1.000000 | < R > | .102746 | < R2 > | .014129 | < 1/R > | 14.668683 | < 1/R**2 > | 432.943097 |
Total Energy= -266.15321990 a.u.
Kinetic Energy= 266.15322158 a.u.
Potential Energy= -532.30644148 a.u.
Virial Ratio = -1.99999999