(1s 2 2s 2 2p 6 3s 2 3p 3 4d 1 ) 5 D Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 1.670240 | .29619023 |
| 2 | 4d | .846661 | -.67584365 |
| 3 | 3d | 2.830521 | .26198458 |
| 4 | 4d | 4.320445 | -.04692003 |
| 5 | 5d | 3.595925 | -.06953889 |
| 6 | 5d | 1.079995 | -.38385834 |
| 7 | 3d | 8.097171 | .00667697 |
| ORB.ENERGY,a.u. | -.365930 | ||
| NORM | 1.000000 | < R > | 5.244103 | < R2 > | 31.212635 | < 1/R > | .254285 | < 1/R**2 > | .125405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 1.974987 | -1.38817925 |
| 2 | 3p | 10.107432 | -.09113215 |
| 3 | 4p | 5.363690 | .13640857 |
| 4 | 5p | 11.241137 | -.02403935 |
| 5 | 3p | 1.975432 | .15178259 |
| 6 | 4p | 36.813251 | -.00017059 |
| 7 | 2p | 6.267442 | .61513712 |
| 8 | 3p | 68.474649 | -.00000638 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.400571 | < R2 > | 2.266570 | < 1/R > | .954218 | < 1/R**2 > | 1.992977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.484492 | .55828828 |
| 2 | 1s | 14.156971 | .11678341 |
| 3 | 2s | 5.226922 | -.64769415 |
| 4 | 3s | 2.865989 | .68702062 |
| 5 | 4s | 5.567300 | .09058372 |
| 6 | 2s | 8.807466 | -.12406448 |
| 7 | 4s | 28.159429 | .00095648 |
| 8 | 2s | 30.197553 | -.00025949 |
| 9 | 5s | 2.019551 | -.02702073 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.307808 | < R2 > | 1.955227 | < 1/R > | 1.045149 | < 1/R**2 > | 6.423108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.811677 | .46380299 |
| 2 | 3p | 8.132732 | .46796767 |
| 3 | 4p | 6.744508 | .15210291 |
| 4 | 5p | 5.209172 | .00873031 |
| 5 | 2p | 16.553288 | .01661478 |
| 6 | 5p | 14.580673 | -.00786127 |
| 7 | 4p | 60.214190 | .00002690 |
| 8 | 3p | 2.313580 | .00039606 |
| 9 | 3p | 23.021341 | -.00109146 |
| 10 | 2p | 119.573176 | -.00000096 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374828 | < R2 > | .173820 | < 1/R > | 3.453685 | < 1/R**2 > | 16.556866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463536 | .38501793 |
| 2 | 2s | 7.567626 | -.81206083 |
| 3 | 3s | 6.890004 | -.27991410 |
| 4 | 4s | 30.715224 | .00157845 |
| 5 | 3s | 17.577826 | .00793920 |
| 6 | 2s | 3.934780 | -.05935923 |
| 7 | 5s | 3.218248 | -.02014068 |
| 8 | 4s | 2.881597 | .02555579 |
| 9 | 3s | 1.686472 | -.00034608 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411354 | < R2 > | .200193 | < 1/R > | 3.562794 | < 1/R**2 > | 52.178227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581268 | 1.00986067 |
| 2 | 2s | 22.363063 | -.01728857 |
| 3 | 3s | 14.946773 | .01750613 |
| 4 | 4s | 51.766545 | -.00051353 |
| 5 | 4s | 12.525733 | .00290268 |
| 6 | 5s | 61.825562 | .00011605 |
| 7 | 5s | 16.001204 | -.00407432 |
| 8 | 2s | 34.519341 | -.00228635 |
| 9 | 2s | 86.937513 | .00004113 |
| 10 | 5s | 3.487962 | -.00001844 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009956 | < 1/R > | 17.554818 | < 1/R**2 > | 621.212373 |
Total Energy= -524.22404116 a.u.
Kinetic Energy= 524.23148754 a.u.
Potential Energy= -1048.45552870 a.u.
Virial Ratio = -1.99998580