(1s 2 2s 1 5p 1 ) 1 P O 4+
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 | .958056 | 2.45030379 |
| 2 | 3p | 1.261403 | -5.08856071 |
| 3 | 4p | 1.038102 | 7.64399735 |
| 4 | 5p | 1.017825 | -5.89510713 |
| 5 | 2p | 4.293331 | .06530708 |
| 6 | 5p | 4.524745 | .01931923 |
| 7 | 3p | 8.682989 | -.00306048 |
| ORB.ENERGY,a.u. | -.520710 | ||
| NORM | .999998 | < R > | 7.004696 | < R2 > | 55.260333 | < 1/R > | .209973 | < 1/R**2 > | .159752 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.604888 | .37298123 |
| 2 | 2s | 3.162083 | -.86119016 |
| 3 | 3s | 3.717950 | -.24694987 |
| 4 | 4s | 9.456741 | .03239571 |
| 5 | 3s | 10.303693 | .01092646 |
| 6 | 5s | 5.788520 | -.01226611 |
| 7 | 4s | 2.746878 | -.00499367 |
| 8 | 5s | 11.750838 | -.00715288 |
| ORB.ENERGY,a.u. | -4.863500 | ||
| NORM | 1.000000 | < R > | .895467 | < R2 > | .935290 | < 1/R > | 1.618721 | < 1/R**2 > | 10.580063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.247608 | .87232230 |
| 2 | 1s | 10.935752 | .12838623 |
| 3 | 2s | 4.860143 | .02610837 |
| 4 | 3s | 6.197351 | -.03070220 |
| 5 | 4s | 14.458107 | .00432942 |
| 6 | 5s | 8.328461 | .00536495 |
| 7 | 5s | 52.847697 | -.00002988 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197181 | < R2 > | .052222 | < 1/R > | 7.676535 | < 1/R**2 > | 119.206947 |
Total Energy= -64.70201730 a.u.
Kinetic Energy= 64.69867330 a.u.
Potential Energy= -129.40069060 a.u.
Virial Ratio = -2.00005169