(1s 2 2s 2 2p 1 5p 1 ) 1 P Ar 12+
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 | 5.961150 | .39710420 |
2 | 3p | 3.012133 | -3.49752610 |
3 | 4p | 2.658169 | 9.83367757 |
4 | 5p | 2.680916 | -7.24898277 |
5 | 2p | 11.992473 | .02255772 |
6 | 5p | 5.040750 | -.15159241 |
7 | 5p | 38.584338 | -.00042073 |
8 | 4p | 57.968758 | -.00007834 |
ORB.ENERGY,a.u. | -3.571600 |
NORM | .999998 | < R > | 2.661726 | < R2 > | 7.968514 | < 1/R > | .544372 | < 1/R**2 > | 1.025583 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.618583 | 1.07690272 |
2 | 3p | 9.028972 | -.09036448 |
3 | 2p | 18.255383 | .01293641 |
4 | 5p | 23.288505 | .00239293 |
5 | 4p | 5.769830 | .00047756 |
ORB.ENERGY,a.u. | -27.231000 |
NORM | 1.000000 | < R > | .320026 | < R2 > | .123766 | < 1/R > | 3.941409 | < 1/R**2 > | 20.963762 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 15.369801 | .39063761 |
2 | 2s | 7.032080 | -.81731632 |
3 | 3s | 10.037854 | -.28746615 |
4 | 4s | 33.209367 | .00125667 |
5 | 5s | 19.407189 | -.00795390 |
6 | 5s | 7.763278 | .01730928 |
ORB.ENERGY,a.u. | -26.841000 |
NORM | 1.000000 | < R > | .371550 | < R2 > | .161406 | < 1/R > | 3.962143 | < 1/R**2 > | 63.417011 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.203247 | .93918494 |
2 | 1s | 26.413140 | .05725092 |
3 | 2s | 15.941577 | .02002207 |
4 | 3s | 19.479336 | -.01403516 |
5 | 4s | 88.917302 | -.00005671 |
6 | 5s | 41.147962 | .00066467 |
7 | 4s | 7.152517 | .00002637 |
ORB.ENERGY,a.u. | -137.760000 |
NORM | 1.000000 | < R > | .085405 | < R2 > | .009764 | < 1/R > | 17.645069 | < 1/R**2 > | 626.186182 |
Total Energy= -408.75793386 a.u.
Kinetic Energy= 408.77944795 a.u.
Potential Energy= -817.53738181 a.u.
Virial Ratio = -1.99994737