(1s 2 2s 1 2p 1 ) 3 P Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 7.375624 | .89047216 |
| 2 | 2p | 9.183941 | .08646750 |
| 3 | 2p | 19.921862 | .00765624 |
| 4 | 3p | 7.455925 | .02666213 |
| 5 | 4p | 13.015882 | -.00331468 |
| 6 | 5p | 61.645914 | .00002762 |
| 7 | 3p | 52.792886 | .00003577 |
| ORB.ENERGY,a.u. | -26.539000 | ||
| NORM | 1.000000 | < R > | .334576 | < R2 > | .134870 | < 1/R > | 3.757979 | < 1/R**2 > | 18.997462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.002405 | .41951322 |
| 2 | 2s | 7.228074 | -.81121006 |
| 3 | 3s | 8.817425 | -.29757030 |
| 4 | 5s | 15.679394 | -.01841319 |
| 5 | 4s | 31.900902 | .00279539 |
| 6 | 5s | 45.295804 | -.00049641 |
| ORB.ENERGY,a.u. | -27.699000 | ||
| NORM | 1.000000 | < R > | .387437 | < R2 > | .175204 | < 1/R > | 3.805537 | < 1/R**2 > | 58.405020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.389173 | .93806438 |
| 2 | 1s | 25.843900 | .04841007 |
| 3 | 2s | 20.250213 | .01682798 |
| 4 | 3s | 18.563640 | .00122508 |
| 5 | 4s | 62.946157 | -.00053854 |
| 6 | 5s | 81.979546 | .00021081 |
| 7 | 5s | 19.473947 | .00178379 |
| 8 | 4s | 7.481135 | -.00006652 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090478 | < R2 > | .010957 | < 1/R > | 16.655778 | < 1/R**2 > | 558.002704 |
Total Energy= -334.35654126 a.u.
Kinetic Energy= 334.59222965 a.u.
Potential Energy= -668.94877091 a.u.
Virial Ratio = -1.99929560