(1s 2 2s 2 2p 2 4p 1 ) 2 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 7.850694 | .25891031 |
| 2 | 3p | 2.727786 | -.59216838 |
| 3 | 5p | 3.119942 | 1.52007199 |
| 4 | 4p | 4.538852 | -.64767723 |
| 5 | 5p | 9.876746 | .03525935 |
| 6 | 4p | 23.160794 | -.00220611 |
| 7 | 5p | 2.674802 | .12183303 |
| 8 | 5p | 52.461676 | -.00024197 |
| 9 | 4p | 82.286915 | -.00004410 |
| ORB.ENERGY,a.u. | -4.099000 | ||
| NORM | .999999 | < R > | 1.932929 | < R2 > | 4.222673 | < 1/R > | .717906 | < 1/R**2 > | 1.361841 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.078874 | 1.18195257 |
| 2 | 3p | 9.588509 | -.22829330 |
| 3 | 4p | 12.354295 | .04458420 |
| 4 | 5p | 3.094340 | .04785128 |
| 5 | 4p | 2.842838 | -.03492901 |
| 6 | 5p | 22.815065 | .00211408 |
| 7 | 3p | 48.704869 | .00000747 |
| ORB.ENERGY,a.u. | -65.087000 | ||
| NORM | 1.000000 | < R > | .350492 | < R2 > | .149582 | < 1/R > | 3.613315 | < 1/R**2 > | 17.689778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.296757 | .43211206 |
| 2 | 2s | 7.511111 | -.86907573 |
| 3 | 3s | 7.675631 | -.28591299 |
| 4 | 4s | 29.065195 | .00198553 |
| 5 | 3s | 15.212844 | .01989621 |
| 6 | 5s | 7.781884 | -.02570730 |
| 7 | 4s | 1.233747 | .00118228 |
| 8 | 5s | 1.445376 | -.00111719 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404369 | < R2 > | .191561 | < 1/R > | 3.631257 | < 1/R**2 > | 53.483238 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.059577 | .92146649 |
| 2 | 1s | 24.151763 | .07729767 |
| 3 | 2s | 14.980580 | .01930823 |
| 4 | 3s | 18.607269 | -.01561025 |
| 5 | 5s | 40.355983 | .00085082 |
| 6 | 4s | 97.385366 | -.00003082 |
| 7 | 5s | 12.953950 | .00029999 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090741 | < R2 > | .011034 | < 1/R > | 16.623856 | < 1/R**2 > | 556.304179 |
Total Energy= -385.28666510 a.u.
Kinetic Energy= 385.25810570 a.u.
Potential Energy= -770.54477080 a.u.
Virial Ratio = -2.00007413