(1s 2 2s 2 2p 4 5p 1 ) 4 S Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 4.583206 | .26116576 |
| 2 | 3p | 2.297006 | -2.69302559 |
| 3 | 4p | 2.103393 | 5.44675533 |
| 4 | 5p | 1.885339 | -3.58058817 |
| 5 | 2p | 9.913635 | .05265665 |
| 6 | 5p | 16.154153 | .00136356 |
| 7 | 4p | 35.869288 | -.00015323 |
| ORB.ENERGY,a.u. | -1.794200 | ||
| NORM | 1.000000 | < R > | 3.662530 | < R2 > | 15.084034 | < 1/R > | .392990 | < 1/R**2 > | .558467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.028743 | 1.17013570 |
| 2 | 3p | 6.820198 | -.23968147 |
| 3 | 2p | 13.285311 | .06427350 |
| 4 | 4p | 16.206208 | .01261587 |
| 5 | 5p | 3.683624 | .00366621 |
| 6 | 5p | 22.754438 | -.00077776 |
| 7 | 4p | 66.459333 | .00003148 |
| 8 | 4p | 3.784391 | -.00514764 |
| 9 | 3p | 1.155920 | -.00066137 |
| ORB.ENERGY,a.u. | -16.285000 | ||
| NORM | 1.000000 | < R > | .374084 | < R2 > | .171088 | < 1/R > | 3.418495 | < 1/R**2 > | 16.022025 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.512780 | .40446148 |
| 2 | 2s | 7.278532 | -.85511063 |
| 3 | 3s | 6.765046 | -.30006219 |
| 4 | 4s | 17.712471 | .00658007 |
| 5 | 3s | 20.269423 | .00859303 |
| 6 | 5s | 35.458222 | .00047074 |
| 7 | 5s | 5.863855 | -.00451052 |
| 8 | 4s | 4.487181 | .00184754 |
| 9 | 2s | 66.257771 | .00002472 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420743 | < R2 > | .208202 | < 1/R > | 3.481860 | < 1/R**2 > | 49.499532 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159276 | .92075077 |
| 2 | 1s | 23.384590 | .07555485 |
| 3 | 2s | 10.455047 | .02019476 |
| 4 | 3s | 12.715187 | -.02018394 |
| 5 | 4s | 15.403084 | .00901403 |
| 6 | 5s | 41.388481 | .00077118 |
| 7 | 4s | 99.158895 | -.00002624 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091033 | < R2 > | .011121 | < 1/R > | 16.589811 | < 1/R**2 > | 554.538356 |
Total Energy= -419.13935229 a.u.
Kinetic Energy= 419.13079216 a.u.
Potential Energy= -838.27014445 a.u.
Virial Ratio = -2.00002042