(1s 2 2s 1 3p 1 ) 1 P O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | 1.724731 | -1.57547971 |
| 2 | 2p | 2.063327 | .96065210 |
| 3 | 2p | 5.917431 | .05074070 |
| 4 | 4p | 7.223952 | .01695579 |
| 5 | 5p | 3.463862 | -.02209172 |
| 6 | 2p | 54.303855 | -.00000154 |
| ORB.ENERGY,a.u. | -1.488000 | ||
| NORM | 1.000000 | < R > | 2.321416 | < R2 > | 6.221699 | < 1/R > | .607989 | < 1/R**2 > | .790950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.576335 | .37249985 |
| 2 | 2s | 3.172812 | -.86485849 |
| 3 | 3s | 3.568628 | -.24896876 |
| 4 | 4s | 9.121722 | .03438903 |
| 5 | 3s | 9.872509 | .01301382 |
| 6 | 5s | 5.735672 | -.01485085 |
| 7 | 5s | 11.270421 | -.00916837 |
| 8 | 4s | 1.646474 | .00076771 |
| ORB.ENERGY,a.u. | -4.520900 | ||
| NORM | 1.000000 | < R > | .901330 | < R2 > | .947160 | < 1/R > | 1.606356 | < 1/R**2 > | 10.429896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.226480 | .87124597 |
| 2 | 1s | 10.948968 | .13047417 |
| 3 | 2s | 4.916708 | .02587572 |
| 4 | 3s | 6.407413 | -.03055235 |
| 5 | 4s | 14.461557 | .00410985 |
| 6 | 5s | 8.639150 | .00484963 |
| 7 | 5s | 50.154939 | -.00003783 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197374 | < R2 > | .052350 | < 1/R > | 7.671930 | < 1/R**2 > | 119.097506 |
Total Energy= -65.68743065 a.u.
Kinetic Energy= 65.66574391 a.u.
Potential Energy= -131.35317457 a.u.
Virial Ratio = -2.00033026