(1s 2 2s 2 2p 4 3p 1 ) 4 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 5.739981 | .44702427 |
| 2 | 3p | 3.341975 | -.91612140 |
| 3 | 4p | 3.902246 | -.22963321 |
| 4 | 2p | 10.712331 | .07943564 |
| 5 | 5p | 16.980991 | .00420990 |
| 6 | 5p | 44.883830 | -.00022453 |
| 7 | 4p | 69.174418 | -.00003501 |
| 8 | 5p | 3.216322 | -.00662376 |
| ORB.ENERGY,a.u. | -5.500700 | ||
| NORM | 1.000000 | < R > | 1.136732 | < R2 > | 1.480575 | < 1/R > | 1.200073 | < 1/R**2 > | 3.077325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.054320 | 1.15776803 |
| 2 | 3p | 6.901066 | -.22763943 |
| 3 | 3p | 50.768077 | .00003163 |
| 4 | 2p | 13.183820 | .06461388 |
| 5 | 4p | 15.647458 | .01122413 |
| 6 | 5p | 4.552434 | .00179700 |
| ORB.ENERGY,a.u. | -15.609000 | ||
| NORM | 1.000000 | < R > | .375471 | < R2 > | .172592 | < 1/R > | 3.409475 | < 1/R**2 > | 15.950573 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.520351 | .40299022 |
| 2 | 2s | 7.274521 | -.85288413 |
| 3 | 3s | 6.773080 | -.29925236 |
| 4 | 4s | 17.681408 | .00811755 |
| 5 | 3s | 20.928352 | .00802344 |
| 6 | 5s | 34.745898 | .00052311 |
| 7 | 5s | 6.224437 | -.00756023 |
| 8 | 2s | 64.089407 | .00003036 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .422009 | < R2 > | .209608 | < 1/R > | 3.471879 | < 1/R**2 > | 49.242987 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.157596 | .92123740 |
| 2 | 1s | 23.441985 | .07500563 |
| 3 | 2s | 10.674678 | .01988349 |
| 4 | 3s | 12.900456 | -.01978213 |
| 5 | 4s | 15.468840 | .00913769 |
| 6 | 5s | 41.268927 | .00072008 |
| 7 | 4s | 94.892433 | -.00003027 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091052 | < R2 > | .011126 | < 1/R > | 16.587495 | < 1/R**2 > | 554.416521 |
Total Energy= -422.79723478 a.u.
Kinetic Energy= 422.83303947 a.u.
Potential Energy= -845.63027425 a.u.
Virial Ratio = -1.99991532