(1s 2 2s 2 2p 3 4p 1 ) 5 P Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 8.311699 | .22635474 |
| 2 | 3p | 1.862177 | 2.09435531 |
| 3 | 4p | 3.912663 | -1.52482922 |
| 4 | 5p | 6.753140 | -.12894402 |
| 5 | 3p | 19.568182 | -.00173273 |
| 6 | 5p | 2.146885 | -.68998907 |
| 7 | 4p | 2.482042 | .43952158 |
| 8 | 4p | 53.129363 | .00002861 |
| ORB.ENERGY,a.u. | -3.516400 | ||
| NORM | 1.000001 | < R > | 2.047148 | < R2 > | 4.740623 | < 1/R > | .692269 | < 1/R**2 > | 1.360313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.771155 | 1.26953942 |
| 2 | 3p | 8.839089 | -.35114375 |
| 3 | 4p | 11.230233 | .07491087 |
| 4 | 5p | 21.980769 | .00346386 |
| 5 | 4p | 4.290451 | .00481823 |
| 6 | 5p | 22.015125 | -.00018917 |
| 7 | 5p | 3.916061 | -.00214382 |
| ORB.ENERGY,a.u. | -18.863000 | ||
| NORM | 1.000000 | < R > | .361594 | < R2 > | .159079 | < 1/R > | 3.516508 | < 1/R**2 > | 16.845794 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.370201 | .41947805 |
| 2 | 2s | 7.399456 | -.86565447 |
| 3 | 3s | 7.192145 | -.29001443 |
| 4 | 4s | 29.077106 | .00188299 |
| 5 | 3s | 15.397542 | .01699757 |
| 6 | 5s | 7.330869 | -.01531863 |
| 7 | 4s | 2.474327 | .00018201 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412617 | < R2 > | .199834 | < 1/R > | 3.554176 | < 1/R**2 > | 51.412752 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.179821 | .94116657 |
| 2 | 1s | 25.224148 | .05649065 |
| 3 | 2s | 14.476813 | .01865806 |
| 4 | 3s | 20.372369 | -.01477444 |
| 5 | 4s | 30.926834 | .00270021 |
| 6 | 5s | 59.456216 | .00009424 |
| 7 | 5s | 12.188682 | .00044398 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090901 | < R2 > | .011081 | < 1/R > | 16.605112 | < 1/R**2 > | 555.329777 |
Total Energy= -404.15756376 a.u.
Kinetic Energy= 404.18179121 a.u.
Potential Energy= -808.33935497 a.u.
Virial Ratio = -1.99994006