(1s 2 2s 2 2p 5 4p 1 ) 3 S S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 4p- electron | |
| 1 | 2p | 7.538259 | .19150009 |
| 2 | 3p | 1.378262 | 2.45255263 |
| 3 | 4p | 3.022811 | -1.32260490 |
| 4 | 5p | 5.457093 | -.16383273 |
| 5 | 3p | 16.016646 | -.00551982 |
| 6 | 5p | 1.582609 | -.76336654 |
| 7 | 4p | 23.815970 | .00151023 |
| 8 | 3p | 42.748300 | .00010414 |
| 9 | 5p | 54.322902 | .00006237 |
| 10 | 5p | .516585 | -.00016145 |
| ORB.ENERGY,a.u. | -1.867500 | ||
| NORM | .999999 | < R > | 2.695649 | < R2 > | 8.219298 | < 1/R > | .525144 | < 1/R**2 > | .826326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.366157 | 1.20346397 |
| 2 | 3p | 6.331287 | -.27646755 |
| 3 | 2p | 12.196491 | .07060853 |
| 4 | 4p | 14.650212 | .01205915 |
| 5 | 4p | 3.402735 | .00166283 |
| 6 | 5p | 2.166470 | -.00171130 |
| 7 | 4p | 65.893093 | .00001862 |
| ORB.ENERGY,a.u. | -11.547000 | ||
| NORM | 1.000000 | < R > | .420484 | < R2 > | .217831 | < 1/R > | 3.068381 | < 1/R**2 > | 13.035544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.881042 | .38196923 |
| 2 | 2s | 6.648242 | -.83767923 |
| 3 | 3s | 5.963544 | -.30319299 |
| 4 | 4s | 22.735768 | .00202487 |
| 5 | 3s | 16.676390 | .00870652 |
| 6 | 5s | 41.315315 | .00026833 |
| 7 | 5s | 5.217859 | -.00433800 |
| 8 | 4s | 3.354265 | .00109827 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462924 | < R2 > | .252979 | < 1/R > | 3.157735 | < 1/R**2 > | 40.890134 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177867 | .92275759 |
| 2 | 1s | 22.251800 | .07350755 |
| 3 | 2s | 9.352385 | .02084193 |
| 4 | 3s | 11.606776 | -.02141833 |
| 5 | 4s | 14.417167 | .01070258 |
| 6 | 5s | 38.351762 | .00073766 |
| 7 | 4s | 86.660979 | -.00003675 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097019 | < R2 > | .012644 | < 1/R > | 15.579760 | < 1/R**2 > | 489.454186 |
Total Energy= -379.11916109 a.u.
Kinetic Energy= 379.15076086 a.u.
Potential Energy= -758.26992195 a.u.
Virial Ratio = -1.99991666