(1s 2 2s 2 2p 4 3d 1 ) 2 F Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2332.
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 | 3d- electron | |
| 1 | 3d | 3.153916 | 1.12060530 |
| 2 | 3d | 7.963298 | .03315760 |
| 3 | 4d | 3.888933 | -.13947641 |
| 4 | 5d | 27.665632 | -.00015385 |
| 5 | 5d | 2.532511 | .00181271 |
| 6 | 4d | 20.176958 | .00011747 |
| ORB.ENERGY,a.u. | -4.693900 | ||
| NORM | 1.000000 | < R > | 1.087114 | < R2 > | 1.365879 | < 1/R > | 1.091333 | < 1/R**2 > | 1.465955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.014692 | 1.15170066 |
| 2 | 3p | 6.810406 | -.22974621 |
| 3 | 2p | 12.965090 | .07144520 |
| 4 | 4p | 14.736793 | .01587300 |
| 5 | 5p | 15.479828 | -.00278702 |
| 6 | 5p | 5.082306 | .00083129 |
| 7 | 4p | 74.447920 | .00001735 |
| 8 | 4p | 2.582011 | .00005513 |
| ORB.ENERGY,a.u. | -15.504000 | ||
| NORM | 1.000000 | < R > | .375286 | < R2 > | .172416 | < 1/R > | 3.411308 | < 1/R**2 > | 15.968419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.481431 | .40506948 |
| 2 | 2s | 7.292284 | -.85413819 |
| 3 | 3s | 6.747639 | -.30000666 |
| 4 | 4s | 17.898535 | .00691465 |
| 5 | 3s | 20.160069 | .00792932 |
| 6 | 5s | 36.372075 | .00060414 |
| 7 | 5s | 6.341904 | -.00660089 |
| 8 | 2s | 92.561504 | .00000633 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421731 | < R2 > | .209342 | < 1/R > | 3.474647 | < 1/R**2 > | 49.315978 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160209 | .92045041 |
| 2 | 1s | 23.356703 | .07584732 |
| 3 | 2s | 10.419906 | .02021564 |
| 4 | 3s | 12.734100 | -.02015897 |
| 5 | 4s | 15.488159 | .00891777 |
| 6 | 5s | 41.349277 | .00081640 |
| 7 | 4s | 103.230550 | -.00002462 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091026 | < R2 > | .011119 | < 1/R > | 16.590721 | < 1/R**2 > | 554.587030 |
Total Energy= -422.06134865 a.u.
Kinetic Energy= 422.03211390 a.u.
Potential Energy= -844.09346255 a.u.
Virial Ratio = -2.00006927