(1s 2 5p 1 ) 2 P C 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | .603899 | 5.63555847 |
| 2 | 3p | .987236 | -6.70884769 |
| 3 | 4p | .761719 | 8.11156785 |
| 4 | 5p | .786994 | -8.40274361 |
| 5 | 2p | 4.796052 | .01264045 |
| 6 | 5p | 5.353424 | .00344298 |
| 7 | 3p | 7.030250 | -.00138491 |
| ORB.ENERGY,a.u. | -.324570 | ||
| NORM | .999991 | < R > | 8.992498 | < R2 > | 91.072478 | < 1/R > | .163508 | < 1/R**2 > | .093836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.227447 | .71477305 |
| 2 | 1s | 8.145791 | .22994335 |
| 3 | 2s | 6.413483 | .08060695 |
| 4 | 3s | 6.566002 | -.01337651 |
| 5 | 4s | 10.666317 | .00537894 |
| 6 | 5s | 40.633455 | -.00003720 |
| 7 | 5s | 6.016081 | -.00135933 |
| ORB.ENERGY,a.u. | -14.184000 |
| NORM | 1.000000 | < R > | .266820 | < R2 > | .095754 | < 1/R > | 5.686591 | < 1/R**2 > | 65.637917 |
Total Energy= -32.68573266 a.u.
Kinetic Energy= 32.68573390 a.u.
Potential Energy= -65.37146656 a.u.
Virial Ratio = -1.99999996