(1s 2 2s 2 2p 2 5d 1 ) 4 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 3.094417 | 1.55835479 |
| 2 | 4d | 2.622735 | -4.19193393 |
| 3 | 5d | 2.397762 | 3.35084165 |
| 4 | 3d | 8.693143 | .02564878 |
| 5 | 5d | 5.175033 | -.04216144 |
| 6 | 4d | 22.092516 | -.00033402 |
| 7 | 5d | 1.708141 | -.00651400 |
| 8 | 3d | 49.838820 | -.00000339 |
| ORB.ENERGY,a.u. | -2.954800 | ||
| NORM | 1.000000 | < R > | 2.795650 | < R2 > | 8.871863 | < 1/R > | .498499 | < 1/R**2 > | .517790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.176725 | 1.14102662 |
| 2 | 3p | 8.194963 | -.16924878 |
| 3 | 2p | 16.274189 | .02531905 |
| 4 | 4p | 17.896393 | .00576291 |
| 5 | 5p | 41.037024 | -.00020295 |
| 6 | 5p | 7.511405 | -.00582407 |
| 7 | 4p | 8.155227 | .00124830 |
| 8 | 3p | 1.144765 | .00007244 |
| ORB.ENERGY,a.u. | -24.716000 | ||
| NORM | 1.000000 | < R > | .328347 | < R2 > | .130627 | < 1/R > | 3.853888 | < 1/R**2 > | 20.120177 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.070292 | .43727545 |
| 2 | 2s | 7.983696 | -.87225629 |
| 3 | 3s | 8.183579 | -.28715613 |
| 4 | 4s | 30.513197 | .00192844 |
| 5 | 3s | 16.591223 | .01588896 |
| 6 | 5s | 8.187456 | -.01859001 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378497 | < R2 > | .167759 | < 1/R > | 3.884281 | < 1/R**2 > | 61.153357 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068188 | .92683665 |
| 2 | 1s | 25.715040 | .07170914 |
| 3 | 2s | 15.776314 | .01936697 |
| 4 | 3s | 19.686247 | -.01555005 |
| 5 | 5s | 42.462353 | .00077885 |
| 6 | 4s | 99.596297 | -.00003399 |
| 7 | 5s | 12.688842 | .00023023 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009807 | < 1/R > | 17.624194 | < 1/R**2 > | 625.031943 |
Total Energy= -433.34519412 a.u.
Kinetic Energy= 433.35163839 a.u.
Potential Energy= -866.69683251 a.u.
Virial Ratio = -1.99998513