(1s 2 2s 2 2p 6 3s 2 ) 1 S S 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 1.779567 | 1.24311547 |
| 2 | 1s | 14.993293 | .05087110 |
| 3 | 2s | 6.828535 | -.63921423 |
| 4 | 3s | 5.242081 | -.60824142 |
| 5 | 4s | 2.837668 | .44515579 |
| 6 | 5s | 19.090475 | -.00284007 |
| 7 | 5s | 1.406785 | -.00068206 |
| 8 | 4s | 64.081228 | -.00001321 |
| ORB.ENERGY,a.u. | -2.601800 | ||
| NORM | 1.000000 | < R > | 1.487136 | < R2 > | 2.512070 | < 1/R > | .912500 | < 1/R**2 > | 4.850284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.935765 | .44404742 |
| 2 | 3p | 7.003788 | .49185003 |
| 3 | 5p | 4.863816 | .01171318 |
| 4 | 4p | 5.769743 | .15893154 |
| 5 | 2p | 19.792797 | .00324296 |
| 6 | 5p | 37.544073 | -.00015258 |
| 7 | 3p | 80.976862 | .00000282 |
| 8 | 4p | 3.122462 | .00099032 |
| ORB.ENERGY,a.u. | -8.689900 | ||
| NORM | 1.000000 | < R > | .439025 | < R2 > | .239464 | < 1/R > | 2.964239 | < 1/R**2 > | 12.271549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.932671 | .37127980 |
| 2 | 2s | 6.570789 | -.82558854 |
| 3 | 3s | 5.720120 | -.29934768 |
| 4 | 4s | 26.536825 | .00202001 |
| 5 | 3s | 15.736505 | .00880800 |
| 6 | 2s | 3.320212 | -.01814890 |
| 7 | 4s | 2.999700 | .00172705 |
| 8 | 5s | 63.862941 | .00001478 |
| 9 | 5s | 2.549075 | -.00027571 |
| ORB.ENERGY,a.u. | -11.103000 | ||
| NORM | 1.000000 | < R > | .473397 | < R2 > | .265480 | < 1/R > | 3.087538 | < 1/R**2 > | 39.230575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.602273 | 1.00994635 |
| 2 | 2s | 21.945843 | -.01866880 |
| 3 | 3s | 12.521800 | .01836801 |
| 4 | 3s | 73.479635 | -.00010845 |
| 5 | 4s | 10.016163 | .00182543 |
| 6 | 4s | 54.713732 | -.00036129 |
| 7 | 5s | 13.799987 | -.00440807 |
| 8 | 2s | 117.210275 | -.00000522 |
| 9 | 3s | 2.345559 | .00013077 |
| 10 | 5s | 3.167167 | -.00010242 |
| ORB.ENERGY,a.u. | -93.690000 |
| NORM | 1.000000 | < R > | .097125 | < R2 > | .012678 | < 1/R > | 15.569144 | < 1/R**2 > | 488.936939 |
Total Energy= -393.36953558 a.u.
Kinetic Energy= 393.36953832 a.u.
Potential Energy= -786.73907390 a.u.
Virial Ratio = -1.99999999