(1s 2 2s 2 2p 2 4d 1 ) 4 F Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | 3.351935 | 1.14263129 |
| 2 | 4d | 2.742088 | -1.70817053 |
| 3 | 3d | 7.014887 | .06435017 |
| 4 | 4d | 8.734809 | -.01366489 |
| 5 | 5d | 2.593087 | .04617595 |
| 6 | 5d | 24.820892 | -.00058262 |
| 7 | 4d | 38.071229 | -.00008281 |
| 8 | 3d | 75.771314 | -.00000164 |
| ORB.ENERGY,a.u. | -3.930800 | ||
| NORM | 1.000000 | < R > | 1.825340 | < R2 > | 3.816104 | < 1/R > | .728201 | < 1/R**2 > | .879413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.807188 | 1.11114124 |
| 2 | 3p | 8.019252 | -.13653902 |
| 3 | 2p | 15.640280 | .02329822 |
| 4 | 4p | 17.074558 | .00562025 |
| 5 | 5p | 37.930133 | -.00022749 |
| 6 | 5p | 3.845508 | -.00057384 |
| ORB.ENERGY,a.u. | -21.054000 | ||
| NORM | 1.000000 | < R > | .352006 | < R2 > | .150265 | < 1/R > | 3.598899 | < 1/R**2 > | 17.570098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324492 | .43080824 |
| 2 | 2s | 7.490616 | -.86876971 |
| 3 | 3s | 7.615300 | -.28626423 |
| 4 | 4s | 28.708562 | .00199968 |
| 5 | 3s | 15.709716 | .01691079 |
| 6 | 5s | 7.693633 | -.02050726 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404328 | < R2 > | .191528 | < 1/R > | 3.631668 | < 1/R**2 > | 53.492288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.061146 | .92144103 |
| 2 | 1s | 24.148787 | .07730695 |
| 3 | 2s | 15.026955 | .01928408 |
| 4 | 3s | 18.602645 | -.01561018 |
| 5 | 5s | 40.476660 | .00084984 |
| 6 | 4s | 97.220497 | -.00003146 |
| 7 | 5s | 12.553647 | .00032996 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625557 | < 1/R**2 > | 556.395144 |
Total Energy= -385.05889811 a.u.
Kinetic Energy= 385.09311822 a.u.
Potential Energy= -770.15201633 a.u.
Virial Ratio = -1.99991114