(1s 2 2s 2 2p 6 3s 2 3p 5 ) 2 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 5.977309 | .40855434 |
| 2 | 2p | 1.601155 | -.84922533 |
| 3 | 3p | 2.944220 | -.24050686 |
| 4 | 2p | 14.559118 | .01775700 |
| 5 | 4p | 9.948191 | -.04170674 |
| 6 | 5p | 41.632028 | -.00009442 |
| 7 | 5p | 1.333577 | -.00182663 |
| 8 | 3p | 30.771543 | -.00010580 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.558458 | < R2 > | 2.860646 | < 1/R > | .863387 | < 1/R**2 > | 1.652652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.883185 | -.09979134 |
| 2 | 1s | 13.728410 | .15490956 |
| 3 | 2s | 6.153644 | -.36152000 |
| 4 | 3s | 2.634838 | .85397530 |
| 5 | 4s | 4.689592 | .19032900 |
| 6 | 3s | 21.501608 | .00240306 |
| 7 | 5s | 2.341220 | .08837060 |
| 8 | 4s | 54.894038 | -.00020437 |
| 9 | 2s | .672171 | .00020328 |
| 10 | 5s | 72.518264 | .00007940 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.381493 | < R2 > | 2.202442 | < 1/R > | .988726 | < 1/R**2 > | 5.725191 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.905110 | .47147961 |
| 2 | 3p | 8.064757 | .47526260 |
| 3 | 4p | 6.696879 | .14391334 |
| 4 | 5p | 5.213340 | .00984832 |
| 5 | 2p | 19.992346 | .00691911 |
| 6 | 5p | 15.389874 | -.00702168 |
| 7 | 3p | 49.007506 | .00003616 |
| 8 | 3p | 2.030959 | .00181393 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375608 | < R2 > | .174716 | < 1/R > | 3.448728 | < 1/R**2 > | 16.516883 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.468531 | .38419124 |
| 2 | 2s | 7.551012 | -.80369073 |
| 3 | 3s | 6.902353 | -.26188464 |
| 4 | 4s | 30.544595 | .00179945 |
| 5 | 3s | 17.194276 | .00785693 |
| 6 | 2s | 4.483392 | -.07937248 |
| 7 | 5s | 2.742441 | -.00292427 |
| 8 | 4s | 2.361692 | .00260178 |
| 9 | 5s | 80.396672 | .00001098 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .412086 | < R2 > | .201007 | < 1/R > | 3.556876 | < 1/R**2 > | 52.021063 |
| 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= -526.27453229 a.u.
Kinetic Energy= 526.27452808 a.u.
Potential Energy= -1052.54906037 a.u.
Virial Ratio = -2.00000001