(1s 1 4p 1 ) 1 P O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 1.747374 | 2.30969088 |
| 2 | 3p | 1.759229 | -6.12308546 |
| 3 | 4p | 1.749093 | 4.58915952 |
| 4 | 5p | 2.110630 | -.08407994 |
| 5 | 3p | 9.735688 | -.00504628 |
| 6 | 4p | 6.657946 | -.00741172 |
| ORB.ENERGY,a.u. | -1.553100 | ||
| NORM | 1.000003 | < R > | 3.298219 | < R2 > | 12.339795 | < 1/R > | .436220 | < 1/R**2 > | .507836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.869060 | .75739945 |
| 2 | 1s | 8.102567 | .25623941 |
| 3 | 2s | 7.960964 | -.01531355 |
| 4 | 3s | 8.666030 | -.00049308 |
| 5 | 4s | 4.522160 | .00014103 |
| ORB.ENERGY,a.u. | -31.553000 |
| NORM | 1.000000 | < R > | .187497 | < R2 > | .046877 | < 1/R > | 8.000378 | < 1/R**2 > | 128.012490 |
Total Energy= -33.54164405 a.u.
Kinetic Energy= 33.52532300 a.u.
Potential Energy= -67.06696705 a.u.
Virial Ratio = -2.00048683