(1s 2 2s 1 5p 1 ) 3 P P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.816839 | 5.33927846 |
| 2 | 3p | 3.018241 | -6.22364336 |
| 3 | 4p | 2.318744 | 7.33383484 |
| 4 | 5p | 2.379317 | -7.78605037 |
| 5 | 2p | 10.047892 | .02557955 |
| 6 | 5p | 14.030955 | .00425117 |
| 7 | 4p | 30.096014 | -.00033303 |
| 8 | 5p | 1.138743 | -.00119762 |
| 9 | 5p | 93.066655 | -.00000838 |
| ORB.ENERGY,a.u. | -2.952600 | ||
| NORM | .999994 | < R > | 2.969054 | < R2 > | 9.923602 | < 1/R > | .492506 | < 1/R**2 > | .836980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.241128 | .42715091 |
| 2 | 2s | 6.521831 | -.80545263 |
| 3 | 3s | 7.601857 | -.30477807 |
| 4 | 5s | 13.377335 | -.02692727 |
| 5 | 4s | 27.743824 | .00521125 |
| 6 | 5s | 37.175737 | -.00132449 |
| 7 | 4s | 5.674203 | .00134860 |
| 8 | 3s | 68.056465 | .00003656 |
| 9 | 5s | 1.570660 | -.00007950 |
| ORB.ENERGY,a.u. | -22.026000 | ||
| NORM | 1.000000 | < R > | .437241 | < R2 > | .222951 | < 1/R > | 3.373101 | < 1/R**2 > | 45.852221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.421430 | .93871191 |
| 2 | 1s | 22.855297 | .04895024 |
| 3 | 2s | 17.413075 | .01652920 |
| 4 | 3s | 11.000832 | .00169643 |
| 5 | 4s | 60.506127 | -.00045621 |
| 6 | 5s | 80.895248 | .00016682 |
| 7 | 5s | 7.081812 | .00009863 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102709 | < R2 > | .014120 | < 1/R > | 14.673969 | < 1/R**2 > | 433.233609 |
Total Energy= -241.08795379 a.u.
Kinetic Energy= 241.09056742 a.u.
Potential Energy= -482.17852121 a.u.
Virial Ratio = -1.99998916