(1s 2 2s 2 2p 4 ) 1 S O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 1.772306 | .68051296 |
| 2 | 2p | 3.396804 | .30331833 |
| 3 | 2p | 7.074914 | .02444096 |
| 4 | 3p | 2.079431 | -.01184828 |
| 5 | 4p | 1.523246 | .11157035 |
| 6 | 5p | 9.236114 | .00482504 |
| 7 | 5p | 1.015249 | .00180857 |
| 8 | 3p | 14.149556 | -.00013712 |
| ORB.ENERGY,a.u. | -.238020 | ||
| NORM | 1.000000 | < R > | 1.267883 | < R2 > | 2.114695 | < 1/R > | 1.092288 | < 1/R**2 > | 1.774846 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.753965 | .28055313 |
| 2 | 2s | 2.754967 | -.84374590 |
| 3 | 3s | 2.127391 | -.30715278 |
| 4 | 4s | 9.351483 | .01510202 |
| 5 | 3s | 11.113959 | .00893292 |
| 6 | 5s | 1.848748 | -.01086004 |
| 7 | 4s | 3.785951 | .03954409 |
| 8 | 3s | 17.132499 | -.00072990 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.135755 | < R2 > | 1.563276 | < 1/R > | 1.272384 | < 1/R**2 > | 6.663787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.124308 | .84626348 |
| 2 | 1s | 10.493033 | .16144178 |
| 3 | 3s | 4.826528 | .00434378 |
| 4 | 4s | 15.258222 | .00435875 |
| 5 | 2s | 6.434749 | -.00702661 |
| 6 | 5s | 64.285200 | -.00000555 |
| 7 | 5s | 2.781589 | .00025942 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198550 | < R2 > | .053119 | < 1/R > | 7.643066 | < 1/R**2 > | 118.403374 |
Total Energy= -74.80612724 a.u.
Kinetic Energy= 74.61102669 a.u.
Potential Energy= -149.41715393 a.u.
Virial Ratio = -2.00261490