(1s 2 2s 1 3s 1 ) 1 S S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 7.848292 | .16943416 |
| 2 | 2s | 5.135103 | -.87932791 |
| 3 | 3s | 4.358889 | 1.71685381 |
| 4 | 4s | 8.146904 | -.14903438 |
| 5 | 5s | 17.654026 | -.00063948 |
| 6 | 4s | 29.218034 | .00056790 |
| 7 | 5s | 4.072620 | -.06084461 |
| 8 | 4s | 3.461681 | .03573762 |
| 9 | 3s | 1.299169 | -.00012701 |
| ORB.ENERGY,a.u. | -10.178000 | ||
| NORM | 1.000000 | < R > | .986621 | < R2 > | 1.058675 | < 1/R > | 1.144549 | < 1/R**2 > | 2.881276 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.986323 | .43002726 |
| 2 | 2s | 7.569201 | -.52490977 |
| 3 | 3s | 8.322741 | -.70660715 |
| 4 | 4s | 4.866623 | .33009331 |
| 5 | 5s | 16.285025 | -.01918379 |
| 6 | 4s | 43.231009 | -.00104146 |
| 7 | 3s | 29.271928 | .00427320 |
| 8 | 2s | 69.752322 | .00010733 |
| 9 | 5s | 2.759836 | .00779812 |
| 10 | 3s | 2.151712 | -.01150212 |
| ORB.ENERGY,a.u. | -24.847000 | ||
| NORM | 1.000000 | < R > | .385930 | < R2 > | .189544 | < 1/R > | 3.995211 | < 1/R**2 > | 63.872458 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.410094 | .93918306 |
| 2 | 1s | 24.425901 | .04800201 |
| 3 | 2s | 18.929354 | .01676774 |
| 4 | 3s | 11.648224 | .00190008 |
| 5 | 4s | 65.018830 | -.00042021 |
| 6 | 5s | 87.045113 | .00015182 |
| 7 | 5s | 6.822173 | .00025881 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096152 | < R2 > | .012373 | < 1/R > | 15.671377 | < 1/R**2 > | 493.971801 |
Total Energy= -282.16263000 a.u.
Kinetic Energy= 282.14139604 a.u.
Potential Energy= -564.30402604 a.u.
Virial Ratio = -2.00007526