(1s 2 2s 2 2p 4 ) 1 D O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 1.801743 | .67829864 |
| 2 | 2p | 3.401619 | .30019541 |
| 3 | 2p | 7.064473 | .02464882 |
| 4 | 3p | 1.829125 | -.00564885 |
| 5 | 4p | 1.563586 | .10499899 |
| 6 | 5p | 9.155074 | .00452196 |
| 7 | 5p | 1.030003 | .00136513 |
| 8 | 3p | 12.266886 | -.00027445 |
| ORB.ENERGY,a.u. | -.356270 | ||
| NORM | 1.000000 | < R > | 1.246094 | < R2 > | 2.028545 | < 1/R > | 1.103612 | < 1/R**2 > | 1.801123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.627303 | .28760703 |
| 2 | 2s | 2.864123 | -.84076277 |
| 3 | 3s | 1.956490 | -.23937375 |
| 4 | 4s | 13.353065 | .00260057 |
| 5 | 3s | 7.197597 | .03278854 |
| 6 | 5s | 3.313252 | -.07472784 |
| 7 | 3s | .843224 | -.00052513 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.139487 | < R2 > | 1.574052 | < 1/R > | 1.268103 | < 1/R**2 > | 6.620226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.127813 | .84568484 |
| 2 | 1s | 10.493769 | .16136279 |
| 3 | 2s | 6.536149 | -.00593378 |
| 4 | 3s | 4.714453 | .00412399 |
| 5 | 4s | 15.296508 | .00430162 |
| 6 | 5s | 59.081991 | -.00000591 |
| 7 | 5s | 2.640367 | .00022304 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198573 | < R2 > | .053135 | < 1/R > | 7.642533 | < 1/R**2 > | 118.390979 |
Total Energy= -74.80887752 a.u.
Kinetic Energy= 74.72926300 a.u.
Potential Energy= -149.53814052 a.u.
Virial Ratio = -2.00106537