(1s 2 2s 2 2p 4 5p 1 ) 2 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 4.681305 | .26262889 |
| 2 | 3p | 2.308220 | -2.66370161 |
| 3 | 4p | 2.113125 | 5.36703402 |
| 4 | 5p | 1.887735 | -3.52595854 |
| 5 | 2p | 10.108365 | .04798838 |
| 6 | 5p | 16.637097 | .00117328 |
| 7 | 4p | 36.793304 | -.00012640 |
| ORB.ENERGY,a.u. | -1.799300 | ||
| NORM | 1.000002 | < R > | 3.653433 | < R2 > | 15.008312 | < 1/R > | .393712 | < 1/R**2 > | .558893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.037604 | 1.13969411 |
| 2 | 3p | 6.785293 | -.21665085 |
| 3 | 2p | 12.894614 | .07311959 |
| 4 | 4p | 15.406676 | .01133828 |
| 5 | 5p | 2.650012 | .01338179 |
| 6 | 5p | 40.618041 | -.00013323 |
| 7 | 4p | 2.173278 | -.01377086 |
| ORB.ENERGY,a.u. | -16.290000 | ||
| NORM | 1.000000 | < R > | .374081 | < R2 > | .171087 | < 1/R > | 3.418477 | < 1/R**2 > | 16.021656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.513686 | .40442044 |
| 2 | 2s | 7.277805 | -.85513405 |
| 3 | 3s | 6.765287 | -.29994114 |
| 4 | 4s | 17.722818 | .00653074 |
| 5 | 3s | 20.257455 | .00860861 |
| 6 | 5s | 35.503013 | .00046542 |
| 7 | 5s | 5.864864 | -.00452170 |
| 8 | 4s | 4.488176 | .00184835 |
| 9 | 2s | 65.991619 | .00002506 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420743 | < R2 > | .208202 | < 1/R > | 3.481858 | < 1/R**2 > | 49.499442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159274 | .92075145 |
| 2 | 1s | 23.384650 | .07555440 |
| 3 | 2s | 10.455246 | .02019454 |
| 4 | 3s | 12.715046 | -.02018410 |
| 5 | 4s | 15.402351 | .00901423 |
| 6 | 5s | 41.388970 | .00077098 |
| 7 | 4s | 99.139863 | -.00002625 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091033 | < R2 > | .011121 | < 1/R > | 16.589814 | < 1/R**2 > | 554.538562 |
Total Energy= -419.13939207 a.u.
Kinetic Energy= 419.13592150 a.u.
Potential Energy= -838.27531358 a.u.
Virial Ratio = -2.00000828