(1s 2 2s 2 2p 4 4d 1 ) 4 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 2.697819 | 1.15153199 |
| 2 | 4d | 2.299974 | -1.72018980 |
| 3 | 3d | 7.410832 | .04657400 |
| 4 | 4d | 5.484766 | .05302090 |
| 5 | 5d | 24.422628 | -.00015275 |
| ORB.ENERGY,a.u. | -2.666300 | ||
| NORM | 1.000000 | < R > | 2.193238 | < R2 > | 5.521042 | < 1/R > | .611429 | < 1/R**2 > | .632586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.034793 | 1.13284607 |
| 2 | 3p | 6.804589 | -.21187383 |
| 3 | 2p | 12.814039 | .07522819 |
| 4 | 4p | 15.223115 | .01200619 |
| 5 | 5p | 41.517566 | -.00012725 |
| 6 | 5p | 4.546954 | -.00083072 |
| ORB.ENERGY,a.u. | -16.088000 | ||
| NORM | 1.000000 | < R > | .374580 | < R2 > | .171586 | < 1/R > | 3.415063 | < 1/R**2 > | 15.995022 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.486465 | .40545083 |
| 2 | 2s | 7.285512 | -.85585214 |
| 3 | 3s | 6.731257 | -.30078778 |
| 4 | 4s | 18.051853 | .00593893 |
| 5 | 3s | 19.744413 | .00825563 |
| 6 | 5s | 37.033454 | .00056484 |
| 7 | 5s | 5.589347 | -.00236254 |
| 8 | 4s | 3.656023 | .00061981 |
| 9 | 2s | 96.022280 | .00000521 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420964 | < R2 > | .208453 | < 1/R > | 3.480166 | < 1/R**2 > | 49.454955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160012 | .92045243 |
| 2 | 1s | 23.357554 | .07584565 |
| 3 | 2s | 10.417605 | .02022365 |
| 4 | 3s | 12.731956 | -.02016196 |
| 5 | 4s | 15.489439 | .00891806 |
| 6 | 5s | 41.334184 | .00081299 |
| 7 | 4s | 103.084281 | -.00002501 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091027 | < R2 > | .011119 | < 1/R > | 16.590549 | < 1/R**2 > | 554.577692 |
Total Energy= -419.97109357 a.u.
Kinetic Energy= 420.00409777 a.u.
Potential Energy= -839.97519133 a.u.
Virial Ratio = -1.99992142