(1s 2 2s 2 2p 6 3s 2 3p 5 ) 2 D Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 5.977308 | .40855444 |
| 2 | 2p | 1.601155 | -.84922538 |
| 3 | 3p | 2.944219 | -.24050683 |
| 4 | 2p | 14.559121 | .01775700 |
| 5 | 4p | 9.948187 | -.04170677 |
| 6 | 5p | 41.631099 | -.00009444 |
| 7 | 5p | 1.333561 | -.00182664 |
| 8 | 3p | 30.773011 | -.00010578 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.558458 | < R2 > | 2.860647 | < 1/R > | .863387 | < 1/R**2 > | 1.652652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 5s | 72.518229 | .00007940 |
| 2 | 1s | 4.883185 | -.09979134 |
| 3 | 1s | 13.728410 | .15490957 |
| 4 | 2s | 6.153644 | -.36152000 |
| 5 | 3s | 2.634838 | .85397527 |
| 6 | 4s | 4.689592 | .19032904 |
| 7 | 3s | 21.501605 | .00240307 |
| 8 | 5s | 2.341220 | .08837056 |
| 9 | 4s | 54.893861 | -.00020437 |
| 10 | 2s | .672110 | .00020330 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.381493 | < R2 > | 2.202442 | < 1/R > | .988726 | < 1/R**2 > | 5.725192 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.904892 | .47150709 |
| 2 | 3p | 8.064245 | .47526000 |
| 3 | 4p | 6.696945 | .14391904 |
| 4 | 5p | 5.197753 | .00991148 |
| 5 | 2p | 19.991192 | .00692133 |
| 6 | 5p | 15.379009 | -.00701994 |
| 7 | 3p | 48.877086 | .00003574 |
| 8 | 3p | 1.988894 | .00172670 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375608 | < R2 > | .174716 | < 1/R > | 3.448727 | < 1/R**2 > | 16.516882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.468531 | .38419125 |
| 2 | 2s | 7.551012 | -.80369075 |
| 3 | 3s | 6.902353 | -.26188465 |
| 4 | 4s | 30.544589 | .00179945 |
| 5 | 3s | 17.194260 | .00785694 |
| 6 | 2s | 4.483393 | -.07937247 |
| 7 | 5s | 2.742484 | -.00292448 |
| 8 | 4s | 2.361698 | .00260199 |
| 9 | 5s | 80.393174 | .00001098 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .412086 | < R2 > | .201007 | < 1/R > | 3.556876 | < 1/R**2 > | 52.021065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580438 | 1.00986713 |
| 2 | 2s | 22.431011 | -.01729533 |
| 3 | 3s | 14.908912 | .01755618 |
| 4 | 4s | 51.004332 | -.00050616 |
| 5 | 4s | 12.570410 | .00288270 |
| 6 | 5s | 60.111120 | .00012192 |
| 7 | 5s | 15.999978 | -.00409556 |
| 8 | 2s | 34.415432 | -.00228169 |
| 9 | 2s | 85.365632 | .00004426 |
| 10 | 5s | 3.874012 | -.00003426 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553534 | < 1/R**2 > | 621.142013 |
Total Energy= -526.27453186 a.u.
Kinetic Energy= 526.27452390 a.u.
Potential Energy= -1052.54905576 a.u.
Virial Ratio = -2.00000002