(1s 2 2s 2 2p 6 3s 2 3p 2 ) 1 S S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p | 7.087586 | -.14896813 |
| 2 | 4p | 1.422312 | .19331646 |
| 3 | 2p | 5.205829 | .51611970 |
| 4 | 2p | 1.232802 | -.98534439 |
| 5 | 3p | 2.406394 | -.25071964 |
| 6 | 2p | 15.914615 | .00279810 |
| 7 | 4p | 32.174585 | -.00013938 |
| ORB.ENERGY,a.u. | -1.100400 | ||
| NORM | 1.000000 | < R > | 1.815188 | < R2 > | 3.844032 | < 1/R > | .736886 | < 1/R**2 > | 1.211738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.284511 | -.37156710 |
| 2 | 1s | 12.034023 | .16069712 |
| 3 | 2s | 5.885681 | -.18697063 |
| 4 | 3s | 2.336810 | .98360308 |
| 5 | 4s | 4.147122 | .20778359 |
| 6 | 3s | 16.979168 | .00411200 |
| 7 | 5s | 2.135834 | .07398844 |
| 8 | 4s | 54.348235 | -.00004838 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.594720 | < R2 > | 2.913360 | < 1/R > | .847048 | < 1/R**2 > | 4.137300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 20.107590 | .00270887 |
| 2 | 2p | 8.950600 | .44379997 |
| 3 | 3p | 6.893926 | .51044946 |
| 4 | 5p | 3.894484 | .00592461 |
| 5 | 4p | 5.515436 | .14704534 |
| 6 | 5p | 13.297573 | .00120591 |
| 7 | 4p | 28.839806 | -.00035277 |
| 8 | 3p | 3.699247 | .00029447 |
| 9 | 4p | 1.877719 | .00099659 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440803 | < R2 > | .241843 | < 1/R > | 2.955990 | < 1/R**2 > | 12.214521 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.017093 | .36656562 |
| 2 | 2s | 6.303577 | -.76634246 |
| 3 | 3s | 5.325652 | -.16166037 |
| 4 | 4s | 24.633609 | .00172630 |
| 5 | 2s | 5.320176 | -.19384166 |
| 6 | 3s | 17.710703 | .00658475 |
| 7 | 4s | 3.707894 | -.00287769 |
| 8 | 5s | 82.640482 | -.00001489 |
| 9 | 5s | 2.149806 | -.00010818 |
| 10 | 2s | 131.704522 | .00000108 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474970 | < R2 > | .267495 | < 1/R > | 3.078044 | < 1/R**2 > | 39.011546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554416 | 1.01450828 |
| 2 | 2s | 20.551456 | -.02542786 |
| 3 | 3s | 12.068439 | .02050307 |
| 4 | 4s | 15.989272 | -.00019037 |
| 5 | 4s | 31.303118 | .00163091 |
| 6 | 2s | 68.249644 | .00001754 |
| 7 | 5s | 14.460166 | -.00549863 |
| 8 | 3s | 6.467893 | .00046888 |
| 9 | 4s | 4.442194 | -.00004127 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097142 | < R2 > | .012684 | < 1/R > | 15.567356 | < 1/R**2 > | 488.850173 |
Total Energy= -396.32988936 a.u.
Kinetic Energy= 396.17791745 a.u.
Potential Energy= -792.50780681 a.u.
Virial Ratio = -2.00038360