(1s 2 2s 2 2p 2 3p 1 ) 2 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 4.465353 | .69346128 |
| 2 | 3p | 3.216855 | -1.37369459 |
| 3 | 2p | 11.885749 | .02832787 |
| 4 | 4p | 7.930051 | -.04321329 |
| 5 | 5p | 19.941445 | .00202410 |
| 6 | 5p | 5.002826 | .02141685 |
| 7 | 4p | 31.214532 | .00009382 |
| ORB.ENERGY,a.u. | -5.140100 | ||
| NORM | 1.000000 | < R > | 1.237626 | < R2 > | 1.727654 | < 1/R > | 1.039705 | < 1/R**2 > | 2.100151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.857062 | 1.35938417 |
| 2 | 3p | 7.614446 | -.39547522 |
| 3 | 2p | 3.616706 | -.06271368 |
| 4 | 4p | 9.597394 | .09203921 |
| 5 | 5p | 18.945947 | .00376656 |
| 6 | 3p | 2.070935 | -.04332816 |
| 7 | 5p | 2.523621 | .02180104 |
| 8 | 3p | 19.238586 | -.00045512 |
| ORB.ENERGY,a.u. | -14.453000 | ||
| NORM | 1.000000 | < R > | .401415 | < R2 > | .193992 | < 1/R > | 3.138567 | < 1/R**2 > | 13.323773 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.959164 | .40853039 |
| 2 | 2s | 6.412675 | -.85493653 |
| 3 | 3s | 6.557405 | -.28078000 |
| 4 | 4s | 24.921530 | .00218196 |
| 5 | 3s | 14.304873 | .01555419 |
| 6 | 5s | 6.249113 | -.02281811 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468804 | < R2 > | .257878 | < 1/R > | 3.123311 | < 1/R**2 > | 39.633695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.106425 | .92229422 |
| 2 | 1s | 21.643233 | .07666170 |
| 3 | 2s | 13.486204 | .01934685 |
| 4 | 3s | 16.750361 | -.01552609 |
| 5 | 5s | 35.460805 | .00088550 |
| 6 | 4s | 80.709083 | -.00004219 |
| 7 | 5s | 12.598603 | .00061433 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103222 | < R2 > | .014288 | < 1/R > | 14.624926 | < 1/R**2 > | 430.938459 |
Total Energy= -296.88941606 a.u.
Kinetic Energy= 296.83136189 a.u.
Potential Energy= -593.72077795 a.u.
Virial Ratio = -2.00019558