(1s 2 2s 2 2p 4 5p 1 ) 4 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 2p | 4.857091 | .25126523 |
| 2 | 3p | 2.314543 | -2.62407833 |
| 3 | 4p | 2.126851 | 5.27882489 |
| 4 | 5p | 1.893275 | -3.46080795 |
| 5 | 2p | 10.136887 | .04741597 |
| 6 | 5p | 16.795385 | .00209549 |
| 7 | 4p | 38.873020 | -.00009893 |
| ORB.ENERGY,a.u. | -1.808000 | ||
| NORM | .999999 | < R > | 3.636120 | < R2 > | 14.865639 | < 1/R > | .396638 | < 1/R**2 > | .573458 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.040704 | 1.13464813 |
| 2 | 3p | 6.794424 | -.21234893 |
| 3 | 2p | 12.890164 | .07372284 |
| 4 | 4p | 15.385399 | .01204288 |
| 5 | 5p | 39.322697 | -.00010802 |
| 6 | 5p | 1.345848 | .00013652 |
| 7 | 4p | 4.416338 | -.00096285 |
| ORB.ENERGY,a.u. | -16.299000 | ||
| NORM | 1.000000 | < R > | .374150 | < R2 > | .171149 | < 1/R > | 3.418017 | < 1/R**2 > | 16.018222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.494554 | .40527821 |
| 2 | 2s | 7.285865 | -.85555371 |
| 3 | 3s | 6.778319 | -.29971610 |
| 4 | 4s | 17.481337 | .00760713 |
| 5 | 3s | 20.519108 | .00791525 |
| 6 | 5s | 34.634926 | .00069667 |
| 7 | 5s | 6.415378 | -.00446742 |
| 8 | 4s | 3.931985 | .00034716 |
| 9 | 2s | 84.873092 | .00001030 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420744 | < R2 > | .208203 | < 1/R > | 3.481849 | < 1/R**2 > | 49.499178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159781 | .92045693 |
| 2 | 1s | 23.347768 | .07587648 |
| 3 | 2s | 10.426079 | .02023929 |
| 4 | 3s | 12.714732 | -.02017491 |
| 5 | 4s | 15.459712 | .00897457 |
| 6 | 5s | 41.223746 | .00075075 |
| 7 | 3s | 66.100956 | -.00005913 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091033 | < R2 > | .011121 | < 1/R > | 16.589814 | < 1/R**2 > | 554.538472 |
Total Energy= -419.13933761 a.u.
Kinetic Energy= 419.14452988 a.u.
Potential Energy= -838.28386749 a.u.
Virial Ratio = -1.99998761