(1s 2 2s 2 2p 4 3d 1 ) 4 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3d- electron | |
| 1 | 3d | 3.214332 | 1.14819674 |
| 2 | 3d | 7.527881 | .04411398 |
| 3 | 4d | 3.872100 | -.17581614 |
| 4 | 5d | 23.192764 | -.00010363 |
| 5 | 5d | 2.440768 | .00114939 |
| 6 | 4d | 50.848416 | .00000977 |
| ORB.ENERGY,a.u. | -4.813700 | ||
| NORM | 1.000000 | < R > | 1.053202 | < R2 > | 1.285461 | < 1/R > | 1.129792 | < 1/R**2 > | 1.575220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.864927 | 1.46705535 |
| 2 | 3p | 5.488718 | -.67020259 |
| 3 | 2p | 11.251869 | .16149080 |
| 4 | 4p | 15.751365 | .01683813 |
| 5 | 5p | 13.169491 | .02145412 |
| 6 | 4p | 4.724500 | -.02803674 |
| 7 | 5p | 39.339531 | -.00017364 |
| 8 | 3p | 3.117500 | .00158300 |
| ORB.ENERGY,a.u. | -15.624000 | ||
| NORM | 1.000000 | < R > | .375966 | < R2 > | .173105 | < 1/R > | 3.406465 | < 1/R**2 > | 15.929295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.478546 | .40511908 |
| 2 | 2s | 7.293696 | -.85415142 |
| 3 | 3s | 6.741836 | -.30007691 |
| 4 | 4s | 17.942946 | .00686890 |
| 5 | 3s | 20.145238 | .00791072 |
| 6 | 5s | 36.471550 | .00060335 |
| 7 | 5s | 6.358135 | -.00669281 |
| 8 | 2s | 94.191830 | .00000592 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421822 | < R2 > | .209446 | < 1/R > | 3.473951 | < 1/R**2 > | 49.297611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160406 | .92044946 |
| 2 | 1s | 23.356996 | .07584536 |
| 3 | 2s | 10.428142 | .02020112 |
| 4 | 3s | 12.738924 | -.02015148 |
| 5 | 4s | 15.485333 | .00891789 |
| 6 | 5s | 41.427577 | .00082026 |
| 7 | 4s | 103.447699 | -.00002337 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091024 | < R2 > | .011118 | < 1/R > | 16.590968 | < 1/R**2 > | 554.600183 |
Total Energy= -422.05784654 a.u.
Kinetic Energy= 422.15213575 a.u.
Potential Energy= -844.20998229 a.u.
Virial Ratio = -1.99977665