(1s 2 2s 2 2p 3 3p 1 ) 3 P P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.853769 | 1.25308932 |
| 2 | 3p | 3.022843 | -1.98501799 |
| 3 | 2p | 9.356938 | .08302916 |
| 4 | 4p | 5.320218 | -.08508782 |
| 5 | 5p | 2.636855 | -.02518419 |
| 6 | 5p | 16.078406 | .00281670 |
| 7 | 4p | 35.685124 | -.00013257 |
| 8 | 4p | 2.152544 | .01073377 |
| ORB.ENERGY,a.u. | -4.204500 | ||
| NORM | 1.000000 | < R > | 1.339937 | < R2 > | 2.029395 | < 1/R > | .966219 | < 1/R**2 > | 1.860292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.764278 | 1.32797139 |
| 2 | 3p | 7.389712 | -.40177464 |
| 3 | 4p | 9.006611 | .07758575 |
| 4 | 5p | 3.482003 | -.00660914 |
| 5 | 4p | 21.917883 | -.00182758 |
| 6 | 3p | 21.758437 | -.00141442 |
| 7 | 4p | 3.332021 | -.01201259 |
| ORB.ENERGY,a.u. | -12.585000 | ||
| NORM | 1.000000 | < R > | .418869 | < R2 > | .212657 | < 1/R > | 3.030714 | < 1/R**2 > | 12.520845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.933658 | .39994013 |
| 2 | 2s | 6.357342 | -.85953455 |
| 3 | 3s | 6.015481 | -.28903772 |
| 4 | 4s | 25.293817 | .00203337 |
| 5 | 3s | 13.959487 | .01676923 |
| 6 | 5s | 5.625716 | -.00981841 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .479746 | < R2 > | .270685 | < 1/R > | 3.048082 | < 1/R**2 > | 37.885766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.172708 | .93198761 |
| 2 | 1s | 21.934515 | .06619580 |
| 3 | 2s | 12.623063 | .01836863 |
| 4 | 3s | 17.934801 | -.01482348 |
| 5 | 4s | 27.575865 | .00302237 |
| 6 | 5s | 54.716135 | .00008568 |
| 7 | 5s | 11.035471 | .00058365 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103407 | < R2 > | .014351 | < 1/R > | 14.608343 | < 1/R**2 > | 430.182730 |
Total Energy= -309.66393971 a.u.
Kinetic Energy= 309.59248159 a.u.
Potential Energy= -619.25642130 a.u.
Virial Ratio = -2.00023081