(1s 2 2s 2 2p 3 5d 1 ) 3 D Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 2.596563 | 1.45709330 |
| 2 | 4d | 2.010455 | -5.62601105 |
| 3 | 5d | 2.005516 | 4.95168083 |
| 4 | 3d | 6.652966 | .03429355 |
| 5 | 5d | 9.930872 | -.00829823 |
| 6 | 4d | 29.883570 | .00008478 |
| 7 | 5d | 1.621071 | -.02099737 |
| 8 | 4d | 72.231343 | .00000587 |
| ORB.ENERGY,a.u. | -2.033700 | ||
| NORM | .999999 | < R > | 3.383045 | < R2 > | 13.004135 | < 1/R > | .413354 | < 1/R**2 > | .356456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.781394 | 1.26571799 |
| 2 | 3p | 8.849870 | -.34748860 |
| 3 | 4p | 11.191015 | .07483213 |
| 4 | 5p | 21.893243 | .00347938 |
| 5 | 4p | 4.621541 | .00448453 |
| 6 | 5p | 22.057019 | -.00004444 |
| 7 | 5p | 4.321667 | -.00123952 |
| ORB.ENERGY,a.u. | -19.064000 | ||
| NORM | 1.000000 | < R > | .361348 | < R2 > | .158844 | < 1/R > | 3.518442 | < 1/R**2 > | 16.862203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.361229 | .42024504 |
| 2 | 2s | 7.392262 | -.87104585 |
| 3 | 3s | 7.062877 | -.29269835 |
| 4 | 4s | 28.628648 | .00181812 |
| 5 | 3s | 15.893914 | .01537664 |
| 6 | 5s | 6.736007 | -.00433349 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412291 | < R2 > | .199501 | < 1/R > | 3.557080 | < 1/R**2 > | 51.489590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181006 | .94115383 |
| 2 | 1s | 25.222012 | .05649190 |
| 3 | 2s | 14.517136 | .01863396 |
| 4 | 3s | 20.368954 | -.01477514 |
| 5 | 4s | 30.973044 | .00269809 |
| 6 | 5s | 59.277266 | .00009401 |
| 7 | 5s | 12.052557 | .00046983 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090890 | < R2 > | .011078 | < 1/R > | 16.606474 | < 1/R**2 > | 555.402231 |
Total Energy= -402.72670874 a.u.
Kinetic Energy= 402.70214637 a.u.
Potential Energy= -805.42885512 a.u.
Virial Ratio = -2.00006099