(1s 2 2s 1 2p 1 ) 1 P P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 6.376664 | .97006542 |
| 2 | 2p | 9.281937 | .05010740 |
| 3 | 2p | 19.576614 | .00459756 |
| 4 | 3p | 5.107292 | .01628971 |
| 5 | 4p | 10.323437 | -.03171798 |
| 6 | 5p | 36.879077 | -.00022298 |
| 7 | 5p | 4.975909 | -.00122817 |
| ORB.ENERGY,a.u. | -18.905000 | ||
| NORM | 1.000000 | < R > | .385889 | < R2 > | .180239 | < 1/R > | 3.273935 | < 1/R**2 > | 14.483877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.737972 | .39212022 |
| 2 | 2s | 5.939253 | -.81249580 |
| 3 | 3s | 8.077680 | -.29376000 |
| 4 | 4s | 23.947951 | .00744295 |
| 5 | 5s | 30.386500 | -.00188226 |
| 6 | 5s | 5.566936 | .00617778 |
| 7 | 3s | 47.308186 | .00008941 |
| 8 | 4s | 4.005965 | -.00141534 |
| ORB.ENERGY,a.u. | -19.891000 | ||
| NORM | 1.000000 | < R > | .451084 | < R2 > | .237966 | < 1/R > | 3.273581 | < 1/R**2 > | 43.679423 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.406541 | .93649245 |
| 2 | 1s | 22.112708 | .05208544 |
| 3 | 2s | 15.230204 | .01562931 |
| 4 | 3s | 6.967064 | .00274393 |
| 5 | 4s | 53.231914 | -.00030065 |
| 6 | 5s | 14.701437 | .00219280 |
| 7 | 3s | 72.728972 | -.00005713 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .103179 | < R2 > | .014287 | < 1/R > | 14.634128 | < 1/R**2 > | 431.440874 |
Total Energy= -257.63200890 a.u.
Kinetic Energy= 257.02561687 a.u.
Potential Energy= -514.65762576 a.u.
Virial Ratio = -2.00235927