(1s 2 2s 2 2p 4 3p 1 ) 2 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 5.484925 | .45210427 |
| 2 | 3p | 3.365693 | -.93246324 |
| 3 | 4p | 3.780320 | -.23089210 |
| 4 | 2p | 10.589794 | .08430701 |
| 5 | 5p | 17.469340 | .00256933 |
| 6 | 5p | 43.612010 | -.00022325 |
| 7 | 4p | 66.167482 | -.00003751 |
| 8 | 5p | 3.230286 | -.01189157 |
| ORB.ENERGY,a.u. | -5.447400 | ||
| NORM | 1.000000 | < R > | 1.151643 | < R2 > | 1.514546 | < 1/R > | 1.170902 | < 1/R**2 > | 2.898711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.023538 | 1.11715259 |
| 2 | 3p | 6.767469 | -.20481621 |
| 3 | 2p | 12.745465 | .07925964 |
| 4 | 4p | 15.731136 | .01342806 |
| 5 | 5p | 12.645376 | .00483260 |
| 6 | 5p | 4.401056 | -.00194790 |
| 7 | 3p | 44.266224 | .00004734 |
| ORB.ENERGY,a.u. | -15.556000 | ||
| NORM | 1.000000 | < R > | .374407 | < R2 > | .171317 | < 1/R > | 3.415036 | < 1/R**2 > | 15.990278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.519403 | .40305719 |
| 2 | 2s | 7.273921 | -.85310371 |
| 3 | 3s | 6.775320 | -.29909828 |
| 4 | 4s | 17.599337 | .00818534 |
| 5 | 3s | 20.937511 | .00798201 |
| 6 | 5s | 34.425526 | .00056444 |
| 7 | 5s | 6.235011 | -.00754029 |
| 8 | 2s | 65.890687 | .00002760 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421975 | < R2 > | .209567 | < 1/R > | 3.472110 | < 1/R**2 > | 49.248686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.157546 | .92123216 |
| 2 | 1s | 23.442190 | .07501072 |
| 3 | 2s | 10.681733 | .01987085 |
| 4 | 3s | 12.912248 | -.01976080 |
| 5 | 4s | 15.478449 | .00912969 |
| 6 | 5s | 41.269242 | .00072181 |
| 7 | 4s | 95.015960 | -.00003016 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091052 | < R2 > | .011126 | < 1/R > | 16.587511 | < 1/R**2 > | 554.417490 |
Total Energy= -422.79817836 a.u.
Kinetic Energy= 422.77996747 a.u.
Potential Energy= -845.57814582 a.u.
Virial Ratio = -2.00004307