(1s 2 2s 1 5p 1 ) 3 P S 12+
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 | 1.973708 | 5.32525231 |
| 2 | 3p | 3.252671 | -6.32072528 |
| 3 | 4p | 2.508045 | 7.58951008 |
| 4 | 5p | 2.576683 | -7.92628105 |
| 5 | 2p | 10.815552 | .02402976 |
| 6 | 5p | 15.178787 | .00395988 |
| 7 | 4p | 32.607659 | -.00028933 |
| 8 | 5p | 1.223351 | -.00107557 |
| 9 | 5p | 101.527039 | -.00000705 |
| ORB.ENERGY,a.u. | -3.460100 | ||
| NORM | 1.000000 | < R > | 2.745154 | < R2 > | 8.483361 | < 1/R > | .532641 | < 1/R**2 > | .976664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.013667 | .43265125 |
| 2 | 2s | 7.001461 | -.81061057 |
| 3 | 3s | 8.183302 | -.30513656 |
| 4 | 5s | 14.375065 | -.02505613 |
| 5 | 4s | 29.742105 | .00471578 |
| 6 | 5s | 39.921825 | -.00118842 |
| 7 | 4s | 6.102360 | .00131293 |
| 8 | 3s | 73.675348 | .00003218 |
| 9 | 5s | 1.701671 | -.00007573 |
| ORB.ENERGY,a.u. | -25.491000 | ||
| NORM | 1.000000 | < R > | .407498 | < R2 > | .193652 | < 1/R > | 3.623430 | < 1/R**2 > | 52.892825 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.409001 | .93871351 |
| 2 | 1s | 24.268207 | .04883554 |
| 3 | 2s | 18.695370 | .01662639 |
| 4 | 3s | 11.471272 | .00147837 |
| 5 | 4s | 65.142401 | -.00042069 |
| 6 | 5s | 87.355229 | .00015352 |
| 7 | 5s | 7.248325 | .00007903 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096128 | < R2 > | .012365 | < 1/R > | 15.673760 | < 1/R**2 > | 494.093126 |
Total Energy= -275.44632035 a.u.
Kinetic Energy= 275.44913999 a.u.
Potential Energy= -550.89546034 a.u.
Virial Ratio = -1.99998976