(1s 2 2s 2 2p 2 5p 1 ) 4 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 4.892700 | .36908993 |
| 2 | 3p | 2.635047 | -3.40864350 |
| 3 | 4p | 2.367062 | 8.04886321 |
| 4 | 5p | 2.304672 | -5.59816616 |
| 5 | 2p | 10.032133 | .04868728 |
| 6 | 5p | 33.855585 | -.00055279 |
| 7 | 4p | 50.732436 | -.00011451 |
| 8 | 5p | 1.859818 | -.02725377 |
| ORB.ENERGY,a.u. | -2.605600 | ||
| NORM | 1.000004 | < R > | 3.085771 | < R2 > | 10.707558 | < 1/R > | .468611 | < 1/R**2 > | .772962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.751619 | 1.14015126 |
| 2 | 3p | 7.834700 | -.16336639 |
| 3 | 2p | 16.102770 | .02127071 |
| 4 | 4p | 18.312919 | .00593011 |
| 5 | 5p | 29.267953 | -.00052174 |
| 6 | 5p | 7.297904 | -.00367575 |
| 7 | 4p | 75.027885 | .00002090 |
| ORB.ENERGY,a.u. | -65.117000 | ||
| NORM | 1.000000 | < R > | .351442 | < R2 > | .149764 | < 1/R > | 3.603826 | < 1/R**2 > | 17.612879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.330913 | .43078272 |
| 2 | 2s | 7.487860 | -.86865922 |
| 3 | 3s | 7.645894 | -.28601006 |
| 4 | 4s | 28.771464 | .00196473 |
| 5 | 3s | 15.626029 | .01743179 |
| 6 | 5s | 7.712446 | -.02090594 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404066 | < R2 > | .191254 | < 1/R > | 3.634048 | < 1/R**2 > | 53.558598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060166 | .92145279 |
| 2 | 1s | 24.151546 | .07730381 |
| 3 | 2s | 15.008560 | .01929427 |
| 4 | 3s | 18.606421 | -.01560938 |
| 5 | 5s | 40.389183 | .00085069 |
| 6 | 4s | 97.377226 | -.00003109 |
| 7 | 5s | 12.759279 | .00031046 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090734 | < R2 > | .011032 | < 1/R > | 16.624656 | < 1/R**2 > | 556.346467 |
Total Energy= -383.75291244 a.u.
Kinetic Energy= 383.76638765 a.u.
Potential Energy= -767.51930009 a.u.
Virial Ratio = -1.99996489