(1s 2 2s 2 2p 2 4d 1 ) 4 D Ar 11+
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 | 3.627938 | 1.16641777 |
| 2 | 4d | 2.990273 | -1.68643171 |
| 3 | 3d | 7.768495 | .05215544 |
| 4 | 4d | 9.113547 | -.00910399 |
| 5 | 5d | 2.310067 | .02542019 |
| 6 | 5d | 28.283258 | -.00036435 |
| 7 | 4d | 48.030312 | -.00002969 |
| 8 | 4d | 1.946353 | -.01714205 |
| ORB.ENERGY,a.u. | -4.646100 | ||
| NORM | 1.000000 | < R > | 1.684887 | < R2 > | 3.251411 | < 1/R > | .788582 | < 1/R**2 > | 1.029190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.155403 | 1.11776772 |
| 2 | 3p | 7.981415 | -.15354089 |
| 3 | 2p | 16.699137 | .02732838 |
| 4 | 4p | 19.433955 | .01363822 |
| 5 | 5p | 25.367196 | -.00274698 |
| 6 | 5p | 6.203122 | -.00156002 |
| 7 | 3p | 40.647555 | .00025605 |
| 8 | 3p | 2.641789 | -.00037676 |
| ORB.ENERGY,a.u. | -24.427000 | ||
| NORM | 1.000000 | < R > | .328689 | < R2 > | .130920 | < 1/R > | 3.850688 | < 1/R**2 > | 20.091323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.053903 | .43773199 |
| 2 | 2s | 7.995869 | -.87198802 |
| 3 | 3s | 8.177648 | -.28713350 |
| 4 | 4s | 30.505570 | .00191072 |
| 5 | 3s | 16.556813 | .01634871 |
| 6 | 5s | 8.253329 | -.02057605 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378756 | < R2 > | .168007 | < 1/R > | 3.881551 | < 1/R**2 > | 61.073342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068397 | .92683115 |
| 2 | 1s | 25.712705 | .07171435 |
| 3 | 2s | 15.770871 | .01936896 |
| 4 | 3s | 19.683415 | -.01555073 |
| 5 | 5s | 42.452887 | .00077861 |
| 6 | 4s | 99.591568 | -.00003455 |
| 7 | 5s | 12.646566 | .00023296 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009807 | < 1/R > | 17.624246 | < 1/R**2 > | 625.035215 |
Total Energy= -435.02756744 a.u.
Kinetic Energy= 435.04260572 a.u.
Potential Energy= -870.07017316 a.u.
Virial Ratio = -1.99996543