(1s 2 2s 2 2p 2 4p 1 ) 2 S Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 7.894381 | .28413788 |
| 2 | 3p | 2.765843 | -.69746623 |
| 3 | 5p | 3.066195 | 1.41653123 |
| 4 | 4p | 4.476700 | -.65952846 |
| 5 | 5p | 10.882918 | .02216159 |
| 6 | 4p | 26.987739 | -.00160026 |
| 7 | 5p | 3.798550 | .37364858 |
| 8 | 5p | 65.671351 | -.00010225 |
| 9 | 4p | 101.702808 | -.00001903 |
| ORB.ENERGY,a.u. | -4.180000 | ||
| NORM | 1.000000 | < R > | 1.896606 | < R2 > | 4.070309 | < 1/R > | .749503 | < 1/R**2 > | 1.574024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.764019 | 1.12492469 |
| 2 | 3p | 7.767209 | -.15088747 |
| 3 | 2p | 16.218073 | .02191899 |
| 4 | 4p | 19.560281 | .00743839 |
| 5 | 5p | 28.331546 | -.00148819 |
| 6 | 5p | 2.887221 | -.00035220 |
| 7 | 4p | 77.487204 | .00002962 |
| ORB.ENERGY,a.u. | -65.168000 | ||
| NORM | 1.000000 | < R > | .351707 | < R2 > | .150013 | < 1/R > | 3.601653 | < 1/R**2 > | 17.594162 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.293806 | .43224008 |
| 2 | 2s | 7.514272 | -.86885047 |
| 3 | 3s | 7.675401 | -.28610581 |
| 4 | 4s | 29.049548 | .00197685 |
| 5 | 3s | 15.221517 | .01996942 |
| 6 | 5s | 7.796851 | -.02604919 |
| 7 | 4s | 2.386388 | .00014871 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404380 | < R2 > | .191571 | < 1/R > | 3.631134 | < 1/R**2 > | 53.479588 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.059577 | .92146827 |
| 2 | 1s | 24.151772 | .07729591 |
| 3 | 2s | 14.980842 | .01930805 |
| 4 | 3s | 18.606473 | -.01560963 |
| 5 | 5s | 40.325256 | .00085071 |
| 6 | 4s | 97.389936 | -.00003114 |
| 7 | 5s | 12.947695 | .00029820 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090741 | < R2 > | .011034 | < 1/R > | 16.623841 | < 1/R**2 > | 556.303136 |
Total Energy= -385.28683919 a.u.
Kinetic Energy= 385.33870589 a.u.
Potential Energy= -770.62554508 a.u.
Virial Ratio = -1.99986540