(1s 2 2s 2 2p 5 ) 2 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 4.481556 | .36913758 |
| 2 | 2p | 6.338533 | .79761484 |
| 3 | 3p | 8.735361 | -.19748269 |
| 4 | 4p | 12.157739 | .02306577 |
| 5 | 5p | 6.208902 | .03646052 |
| 6 | 5p | 40.597280 | -.00012781 |
| ORB.ENERGY,a.u. | -9.631700 | ||
| NORM | 1.000000 | < R > | .458964 | < R2 > | .260130 | < 1/R > | 2.819062 | < 1/R**2 > | 11.039619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.113112 | .37365290 |
| 2 | 2s | 6.161119 | -.83666982 |
| 3 | 3s | 5.361747 | -.31177825 |
| 4 | 4s | 24.488458 | .00197679 |
| 5 | 3s | 14.995636 | .01058293 |
| 6 | 5s | 6.284968 | .00746732 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .501107 | < R2 > | .296799 | < 1/R > | 2.912844 | < 1/R**2 > | 34.824074 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.201292 | .92467008 |
| 2 | 1s | 21.493087 | .06988335 |
| 3 | 2s | 11.537170 | .02136805 |
| 4 | 3s | 17.252230 | -.01179247 |
| 5 | 4s | 25.622205 | .00218378 |
| 6 | 5s | 43.348129 | .00035026 |
| 7 | 4s | 7.938557 | .00064637 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103672 | < R2 > | .014442 | < 1/R > | 14.585179 | < 1/R**2 > | 429.134914 |
Total Energy= -326.31621804 a.u.
Kinetic Energy= 326.31621830 a.u.
Potential Energy= -652.63243634 a.u.
Virial Ratio = -2.00000000