(1s 2 2s 2 2p 2 4s 1 ) 4 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 7.576990 | .04460932 |
| 2 | 2s | 1.118181 | -.59333106 |
| 3 | 3s | 1.066460 | 1.61795591 |
| 4 | 4s | .658256 | -1.35139734 |
| 5 | 5s | 1.523464 | -.26282731 |
| 6 | 4s | 4.937588 | -.06056867 |
| 7 | 5s | 9.307529 | -.01555668 |
| 8 | 4s | 13.203163 | -.00458357 |
| 9 | 5s | 40.123596 | -.00010072 |
| ORB.ENERGY,a.u. | -.199950 | ||
| NORM | 1.000001 | < R > | 7.563602 | < R2 > | 64.383578 | < 1/R > | .181907 | < 1/R**2 > | .253393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.286826 | .77591376 |
| 2 | 2p | 3.863580 | .23213312 |
| 3 | 2p | 8.023104 | .01432975 |
| 4 | 3p | 1.434534 | .03110009 |
| 5 | 4p | 1.288106 | -.01433670 |
| 6 | 5p | 16.596652 | -.00098996 |
| 7 | 5p | 1.235633 | .00269641 |
| 8 | 4p | 23.999034 | -.00019696 |
| ORB.ENERGY,a.u. | -1.818100 | ||
| NORM | 1.000000 | < R > | .986503 | < R2 > | 1.205152 | < 1/R > | 1.317116 | < 1/R**2 > | 2.427851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.671953 | .31165289 |
| 2 | 2s | 2.925925 | -.84650956 |
| 3 | 3s | 2.485968 | -.26815887 |
| 4 | 4s | 9.597350 | .01934463 |
| 5 | 3s | 11.398117 | .00695428 |
| 6 | 5s | 1.509943 | -.00438204 |
| 7 | 5s | 19.050692 | .00078346 |
| 8 | 4s | .638890 | .00765654 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.035879 | < R2 > | 1.275989 | < 1/R > | 1.386584 | < 1/R**2 > | 7.826365 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339746 | .73673500 |
| 2 | 1s | 10.783529 | .19582802 |
| 3 | 1s | 1.997971 | .00445445 |
| 4 | 2s | 7.738751 | .09943248 |
| 5 | 3s | 8.855621 | -.02278981 |
| 6 | 4s | 14.919319 | .00459660 |
| 7 | 5s | 3.968999 | -.00125764 |
| 8 | 3s | 33.586788 | -.00003589 |
| 9 | 4s | .484170 | -.00025103 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198211 | < R2 > | .052890 | < 1/R > | 7.650560 | < 1/R**2 > | 118.575130 |
Total Energy= -73.29779261 a.u.
Kinetic Energy= 73.30006540 a.u.
Potential Energy= -146.59785800 a.u.
Virial Ratio = -1.99996899