(1s 1 4p 1 ) 3 P O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 3p | 17.202841 | .00010777 |
| 2 | 2p | 2.093485 | 1.48417033 |
| 3 | 3p | 2.120036 | -2.84267681 |
| 4 | 4p | 1.599285 | 2.34915440 |
| 5 | 5p | 2.616749 | -.15963102 |
| 6 | 2p | 8.404446 | .00462963 |
| 7 | 4p | 1.282584 | .21084951 |
| 8 | 5p | 1.499236 | -.48281683 |
| ORB.ENERGY,a.u. | -1.575700 | ||
| NORM | 1.000001 | < R > | 3.249013 | < R2 > | 11.974993 | < 1/R > | .443855 | < 1/R**2 > | .536123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.864401 | .75738627 |
| 2 | 1s | 8.102927 | .25639650 |
| 3 | 2s | 8.012346 | -.01581049 |
| 4 | 3s | 4.603030 | -.00031535 |
| 5 | 4s | 8.174668 | .00029595 |
| 6 | 5s | 25.087484 | -.00001745 |
| ORB.ENERGY,a.u. | -31.576000 |
| NORM | 1.000000 | < R > | .187612 | < R2 > | .046937 | < 1/R > | 7.996435 | < 1/R**2 > | 127.906765 |
Total Energy= -33.54206978 a.u.
Kinetic Energy= 33.54792900 a.u.
Potential Energy= -67.08999878 a.u.
Virial Ratio = -1.99982535