(1s 2 2s 2 2p 5 5p 1 ) 1 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 4.321084 | .18648731 |
| 2 | 3p | 2.049481 | -1.73040940 |
| 3 | 4p | 1.687026 | 4.07246447 |
| 4 | 5p | 1.499803 | -2.97610901 |
| 5 | 2p | 9.168064 | .04970540 |
| 6 | 5p | 13.932614 | .00219758 |
| 7 | 5p | 1.459327 | -.15998598 |
| 8 | 4p | 33.232998 | -.00016232 |
| ORB.ENERGY,a.u. | -1.126000 | ||
| NORM | .999998 | < R > | 4.537090 | < R2 > | 23.146264 | < 1/R > | .316326 | < 1/R**2 > | .372882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.375946 | 1.19971923 |
| 2 | 3p | 6.346628 | -.27234958 |
| 3 | 2p | 12.113530 | .07184365 |
| 4 | 5p | 37.622498 | -.00013206 |
| 5 | 4p | 14.549338 | .01101323 |
| 6 | 5p | 3.413750 | .00042421 |
| 7 | 4p | .962810 | -.00013862 |
| ORB.ENERGY,a.u. | -11.704000 | ||
| NORM | 1.000000 | < R > | .419973 | < R2 > | .217231 | < 1/R > | 3.071137 | < 1/R**2 > | 13.055301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.885650 | .38198000 |
| 2 | 2s | 6.654147 | -.83792982 |
| 3 | 3s | 5.965107 | -.30387748 |
| 4 | 4s | 18.055346 | .00473375 |
| 5 | 3s | 19.272082 | .00677290 |
| 6 | 5s | 34.524465 | .00052195 |
| 7 | 5s | 5.244775 | -.00387230 |
| 8 | 4s | 3.585503 | .00152838 |
| 9 | 3s | 2.441421 | -.00040143 |
| 10 | 2s | 85.033708 | .00000673 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462645 | < R2 > | .252641 | < 1/R > | 3.159570 | < 1/R**2 > | 40.933534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178339 | .92259872 |
| 2 | 1s | 22.236291 | .07366184 |
| 3 | 2s | 9.332658 | .02086258 |
| 4 | 3s | 11.617073 | -.02140188 |
| 5 | 4s | 14.461689 | .01063922 |
| 6 | 5s | 38.186579 | .00076379 |
| 7 | 4s | 89.000836 | -.00003670 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097015 | < R2 > | .012643 | < 1/R > | 15.580137 | < 1/R**2 > | 489.472731 |
Total Energy= -378.41288773 a.u.
Kinetic Energy= 378.40985903 a.u.
Potential Energy= -756.82274676 a.u.
Virial Ratio = -2.00000800