(1s 2 2s 2 2p 3 3s 1 ) 3 S O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 7.481048 | .03525601 |
| 2 | 2s | 2.208341 | -.15241809 |
| 3 | 3s | .685308 | .84434638 |
| 4 | 4s | 6.055519 | -.01365072 |
| 5 | 5s | 1.444493 | .08227538 |
| 6 | 4s | .580902 | .11582710 |
| 7 | 5s | 19.293293 | .00012848 |
| 8 | 2s | 8.150836 | .00238906 |
| ORB.ENERGY,a.u. | -.145570 | ||
| NORM | 1.000000 | < R > | 5.294980 | < R2 > | 32.125965 | < 1/R > | .230174 | < 1/R**2 > | .186777 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.017296 | .72448308 |
| 2 | 2p | 3.537789 | .28483087 |
| 3 | 2p | 7.578092 | .02045772 |
| 4 | 3p | 1.133801 | -.00670457 |
| 5 | 4p | 1.725368 | .03387276 |
| 6 | 5p | 9.637738 | .00397878 |
| ORB.ENERGY,a.u. | -.982380 | ||
| NORM | 1.000000 | < R > | 1.079829 | < R2 > | 1.465470 | < 1/R > | 1.223681 | < 1/R**2 > | 2.133837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.880137 | .28361251 |
| 2 | 2s | 2.825188 | -.83901915 |
| 3 | 3s | 2.131945 | -.30157647 |
| 4 | 4s | 9.933622 | .02253212 |
| 5 | 3s | 12.805610 | .01059457 |
| 6 | 5s | 2.263349 | .03149240 |
| 7 | 4s | .797293 | .01330199 |
| 8 | 3s | 29.861407 | .00041136 |
| 9 | 2s | 38.539494 | .00014499 |
| 10 | 5s | .493111 | .00066955 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.084805 | < R2 > | 1.408556 | < 1/R > | 1.323654 | < 1/R**2 > | 7.160989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.128432 | .84577118 |
| 2 | 1s | 10.490334 | .16143534 |
| 3 | 2s | 6.488513 | -.00626698 |
| 4 | 3s | 5.117846 | .00312169 |
| 5 | 4s | 15.292400 | .00446065 |
| 6 | 5s | 1.069274 | -.00047518 |
| 7 | 5s | 6.395728 | .00064798 |
| 8 | 4s | 3.258726 | .00026713 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198495 | < R2 > | .053084 | < 1/R > | 7.644162 | < 1/R**2 > | 118.426898 |
Total Energy= -74.52317028 a.u.
Kinetic Energy= 74.51811787 a.u.
Potential Energy= -149.04128815 a.u.
Virial Ratio = -2.00006780