(1s 2 2s 2 2p 2 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 6.001348 | 1.09547208 |
| 2 | 3p | 7.615613 | -.11487069 |
| 3 | 2p | 14.405407 | .01693463 |
| 4 | 5p | 17.956883 | .00290641 |
| 5 | 4p | 32.719320 | -.00018024 |
| 6 | 5p | 6.179503 | .01221340 |
| 7 | 5p | 112.238970 | -.00000133 |
| 8 | 4p | 5.547301 | -.00411416 |
| ORB.ENERGY,a.u. | -15.612000 | ||
| NORM | 1.000000 | < R > | .409210 | < R2 > | .203373 | < 1/R > | 3.101481 | < 1/R**2 > | 13.080105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.799040 | .37053932 |
| 2 | 2s | 5.733298 | -.82196908 |
| 3 | 3s | 7.464253 | -.28621302 |
| 4 | 4s | 28.060999 | .00113232 |
| 5 | 5s | 16.326106 | -.00881624 |
| 6 | 5s | 9.416800 | .02726712 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .466802 | < R2 > | .255470 | < 1/R > | 3.136628 | < 1/R**2 > | 39.942687 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.169638 | .93647768 |
| 2 | 1s | 22.148006 | .06376382 |
| 3 | 2s | 12.599239 | .01803763 |
| 4 | 3s | 16.646423 | -.01546751 |
| 5 | 4s | 78.775778 | -.00005348 |
| 6 | 5s | 34.151007 | .00093133 |
| 7 | 5s | 9.422005 | .00020606 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628516 | < 1/R**2 > | 431.105075 |
Total Energy= -291.69528909 a.u.
Kinetic Energy= 291.69528647 a.u.
Potential Energy= -583.39057556 a.u.
Virial Ratio = -2.00000001