(1s 2 2s 2 2p 5 3s 1 ) 3 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 12.978826 | .15024915 |
| 2 | 2s | 5.081634 | -.63279568 |
| 3 | 3s | 2.943336 | 1.24968622 |
| 4 | 4s | 12.608744 | -.01397268 |
| 5 | 5s | 6.048763 | -.03598154 |
| 6 | 4s | 2.839239 | -.00400141 |
| 7 | 5s | 35.556899 | .00031068 |
| 8 | 4s | 15.436290 | -.00121105 |
| 9 | 3s | 1.463290 | .00044729 |
| ORB.ENERGY,a.u. | -4.053200 | ||
| NORM | 1.000000 | < R > | 1.320120 | < R2 > | 1.975082 | < 1/R > | 1.055560 | < 1/R**2 > | 6.708345 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.268340 | 1.21985077 |
| 2 | 3p | 6.121233 | -.30214653 |
| 3 | 2p | 11.940265 | .07902871 |
| 4 | 4p | 14.391508 | .01175108 |
| 5 | 5p | 4.068968 | .00113483 |
| 6 | 5p | 38.522321 | -.00012634 |
| ORB.ENERGY,a.u. | -11.212000 | ||
| NORM | 1.000000 | < R > | .421509 | < R2 > | .219089 | < 1/R > | 3.062864 | < 1/R**2 > | 12.994538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.190528 | .32987806 |
| 2 | 2s | 5.496778 | -.78225079 |
| 3 | 3s | 9.198991 | -.23080733 |
| 4 | 4s | 7.393626 | -.05505659 |
| 5 | 5s | 19.377392 | -.00734644 |
| 6 | 5s | 4.042452 | -.00533734 |
| 7 | 4s | 65.009875 | -.00003607 |
| 8 | 3s | 1.546403 | -.00018201 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .464111 | < R2 > | .254706 | < 1/R > | 3.152439 | < 1/R**2 > | 40.781286 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.184315 | .92318121 |
| 2 | 1s | 22.230378 | .07305941 |
| 3 | 2s | 9.012030 | .02127181 |
| 4 | 3s | 11.136084 | -.02149302 |
| 5 | 4s | 14.064925 | .01028879 |
| 6 | 5s | 38.473426 | .00072853 |
| 7 | 4s | 86.686803 | -.00003683 |
| 8 | 5s | 3.963650 | .00016577 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097011 | < R2 > | .012642 | < 1/R > | 15.580404 | < 1/R**2 > | 489.481554 |
Total Energy= -381.31378115 a.u.
Kinetic Energy= 381.32697216 a.u.
Potential Energy= -762.64075331 a.u.
Virial Ratio = -1.99996541