(1s 2 2s 2 2p 6 3s 2 3p 1 ) 2 P Cl 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 5.131086 | .35377733 |
| 2 | 2p | 1.796106 | -.36193829 |
| 3 | 3p | 2.542375 | -.75515611 |
| 4 | 2p | 9.864759 | .08908637 |
| 5 | 3p | 17.646631 | -.00220047 |
| 6 | 4p | 1.786234 | .01560335 |
| 7 | 4p | 84.593534 | .00000414 |
| ORB.ENERGY,a.u. | -2.452300 | ||
| NORM | 1.000000 | < R > | 1.455980 | < R2 > | 2.436689 | < 1/R > | .919530 | < 1/R**2 > | 1.857909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.481179 | -.33251328 |
| 2 | 1s | 12.552598 | .17899968 |
| 3 | 1s | 74.787354 | .00004802 |
| 4 | 2s | 6.158950 | -.27220398 |
| 5 | 3s | 2.660875 | 1.03588034 |
| 6 | 4s | 4.374907 | .20887458 |
| 7 | 3s | 38.802204 | -.00052309 |
| 8 | 5s | 2.096131 | .00332877 |
| ORB.ENERGY,a.u. | -3.147200 | ||
| NORM | 1.000000 | < R > | 1.368071 | < R2 > | 2.129007 | < 1/R > | .996984 | < 1/R**2 > | 5.829947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.747978 | .43456182 |
| 2 | 3p | 7.686399 | .50356537 |
| 3 | 5p | 4.721021 | .00774676 |
| 4 | 4p | 6.255965 | .16486635 |
| 5 | 2p | 23.024217 | .00193531 |
| 6 | 5p | 36.509200 | -.00017144 |
| 7 | 4p | 95.629510 | .00000417 |
| 8 | 3p | 10.052883 | -.00398423 |
| 9 | 5p | 2.328056 | .00015411 |
| ORB.ENERGY,a.u. | -10.431000 | ||
| NORM | 1.000000 | < R > | .404102 | < R2 > | .202390 | < 1/R > | 3.210764 | < 1/R**2 > | 14.348013 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.731735 | .37744599 |
| 2 | 2s | 6.941140 | -.76972230 |
| 3 | 3s | 6.341315 | -.16313857 |
| 4 | 4s | 27.946620 | .00178672 |
| 5 | 2s | 5.008873 | -.19696984 |
| 6 | 3s | 17.328253 | .00713695 |
| 7 | 4s | 3.140971 | -.00028385 |
| 8 | 5s | 51.687415 | .00002282 |
| ORB.ENERGY,a.u. | -12.871000 | ||
| NORM | 1.000000 | < R > | .439781 | < R2 > | .228888 | < 1/R > | 3.327971 | < 1/R**2 > | 45.544596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579387 | 1.01105081 |
| 2 | 2s | 20.615027 | -.01841497 |
| 3 | 3s | 15.104044 | .01702708 |
| 4 | 4s | 61.261733 | -.00040389 |
| 5 | 4s | 8.292294 | .00133565 |
| 6 | 5s | 78.538537 | .00011718 |
| 7 | 5s | 8.533626 | -.00056162 |
| 8 | 2s | 28.584737 | -.00342609 |
| 9 | 2s | 162.334092 | .00000242 |
| 10 | 3s | 13.007622 | .00000686 |
| ORB.ENERGY,a.u. | -106.790000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011193 | < 1/R > | 16.562333 | < 1/R**2 > | 553.115595 |
Total Energy= -454.86164176 a.u.
Kinetic Energy= 454.86164496 a.u.
Potential Energy= -909.72328672 a.u.
Virial Ratio = -1.99999999