(1s 2 2s 1 4p 1 ) 3 P O 4+
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 | 2p | 1.426126 | 2.14768521 |
| 2 | 3p | 1.780199 | -2.91042353 |
| 3 | 4p | 1.260887 | 2.09011309 |
| 4 | 5p | 1.839596 | -.88000897 |
| 5 | 2p | 9.312844 | .00487499 |
| 6 | 5p | 5.788937 | -.01397152 |
| 7 | 3p | 10.607145 | .00085423 |
| ORB.ENERGY,a.u. | -.831680 | ||
| NORM | .999999 | < R > | 4.319858 | < R2 > | 21.152414 | < 1/R > | .333339 | < 1/R**2 > | .314970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.692891 | .36491189 |
| 2 | 2s | 3.083687 | -.85798721 |
| 3 | 3s | 3.906433 | -.25216871 |
| 4 | 4s | 9.897904 | .05242660 |
| 5 | 5s | 11.895110 | -.01790526 |
| 6 | 3s | 16.013003 | .00234323 |
| 7 | 5s | 1.816296 | .00136444 |
| 8 | 4s | 3.009560 | -.00675043 |
| ORB.ENERGY,a.u. | -4.761600 | ||
| NORM | 1.000000 | < R > | .897260 | < R2 > | .939402 | < 1/R > | 1.615525 | < 1/R**2 > | 10.540538 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.226440 | .87704515 |
| 2 | 1s | 11.114154 | .12481584 |
| 3 | 2s | 5.926617 | .02372037 |
| 4 | 3s | 7.381926 | -.02611002 |
| 5 | 4s | 14.485006 | .00395934 |
| 6 | 5s | 9.976814 | .00158911 |
| 7 | 5s | 49.155861 | -.00004460 |
| 8 | 3s | 2.626700 | .00023124 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197191 | < R2 > | .052226 | < 1/R > | 7.676161 | < 1/R**2 > | 119.197195 |
Total Energy= -65.00722565 a.u.
Kinetic Energy= 65.00958375 a.u.
Potential Energy= -130.01680941 a.u.
Virial Ratio = -1.99996373