(1s 2 2s 2 2p 3 3p 1 ) 5 P O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | .568831 | -.80220499 |
| 2 | 2p | 3.086743 | .09796263 |
| 3 | 2p | 8.835764 | .00137716 |
| 4 | 4p | .489403 | -.17872417 |
| 5 | 4p | 2.830644 | .04014453 |
| 6 | 5p | 1.291820 | -.05572577 |
| ORB.ENERGY,a.u. | -.102640 | ||
| NORM | 1.000000 | < R > | 6.496123 | < R2 > | 48.773962 | < 1/R > | .190466 | < 1/R**2 > | .068971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.001854 | .71750900 |
| 2 | 2p | 3.505720 | .30136835 |
| 3 | 2p | 7.657428 | .01939077 |
| 4 | 3p | 4.192620 | -.00472478 |
| 5 | 4p | 1.616383 | .03015473 |
| 6 | 5p | 9.684571 | .00371398 |
| 7 | 5p | .964691 | .00375349 |
| 8 | 3p | .909449 | -.00941522 |
| ORB.ENERGY,a.u. | -1.023100 | ||
| NORM | 1.000000 | < R > | 1.079182 | < R2 > | 1.464962 | < 1/R > | 1.224811 | < 1/R**2 > | 2.137702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.721851 | .29271101 |
| 2 | 2s | 2.835316 | -.83275486 |
| 3 | 3s | 2.154814 | -.30137701 |
| 4 | 3s | 9.149378 | .01397784 |
| 5 | 4s | 9.679814 | .00780083 |
| 6 | 5s | 2.192555 | .03410797 |
| 7 | 5s | 34.765034 | -.00009085 |
| 8 | 4s | 1.630738 | -.01533259 |
| 9 | 3s | 33.680734 | -.00005441 |
| 10 | 2s | .948119 | .00260607 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.090328 | < R2 > | 1.424486 | < 1/R > | 1.318742 | < 1/R**2 > | 7.116126 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.126943 | .84472957 |
| 2 | 1s | 10.455408 | .16298016 |
| 3 | 2s | 7.213181 | -.00621651 |
| 4 | 3s | 4.516782 | .00312088 |
| 5 | 4s | 15.357148 | .00467416 |
| 6 | 5s | 37.523871 | .00003657 |
| 7 | 3s | 16.351749 | -.00015160 |
| 8 | 5s | 2.139940 | .00006461 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198493 | < R2 > | .053076 | < 1/R > | 7.644185 | < 1/R**2 > | 118.427569 |
Total Energy= -74.47193336 a.u.
Kinetic Energy= 74.47524863 a.u.
Potential Energy= -148.94718199 a.u.
Virial Ratio = -1.99995548