(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 D Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 2.024242 | 1.13895619 |
| 2 | 4d | 2.216678 | -.30196051 |
| 3 | 3d | 3.892721 | .32662563 |
| 4 | 4d | 4.688913 | -.12031371 |
| 5 | 5d | 7.908784 | -.01733141 |
| 6 | 3d | 11.141252 | .00324232 |
| ORB.ENERGY,a.u. | -1.857600 | ||
| NORM | 1.000000 | < R > | 1.481269 | < R2 > | 2.584577 | < 1/R > | .820363 | < 1/R**2 > | .854664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.672446 | .34733473 |
| 2 | 2p | 1.838249 | -.37273506 |
| 3 | 3p | 2.788127 | -.74039291 |
| 4 | 2p | 10.544694 | .08755439 |
| 5 | 3p | 19.389261 | -.00181303 |
| 6 | 4p | 1.959628 | .03545690 |
| 7 | 5p | 5.221947 | -.01405395 |
| 8 | 4p | 9.115654 | .00256464 |
| 9 | 5p | 104.551237 | .00000408 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.333350 | < R2 > | 2.046106 | < 1/R > | 1.006164 | < 1/R**2 > | 2.216197 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.368259 | -.22884531 |
| 2 | 1s | 13.066327 | .20282349 |
| 3 | 1s | 82.383497 | .00004181 |
| 4 | 2s | 5.982361 | -.33229527 |
| 5 | 3s | 2.788699 | 1.10253886 |
| 6 | 4s | 4.959322 | .12619679 |
| 7 | 3s | 40.726946 | -.00054753 |
| 8 | 5s | 3.299893 | -.09329081 |
| 9 | 4s | 1.922433 | .00112503 |
| 10 | 4s | 129.360625 | -.00000368 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.265264 | < R2 > | 1.823532 | < 1/R > | 1.082998 | < 1/R**2 > | 6.918784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.428783 | .43555808 |
| 2 | 3p | 8.302355 | .49349516 |
| 3 | 5p | 5.897084 | .01582431 |
| 4 | 4p | 6.958685 | .15801465 |
| 5 | 2p | 23.660098 | .00208622 |
| 6 | 5p | 41.583595 | -.00015782 |
| 7 | 3p | 2.910746 | .00149757 |
| 8 | 4p | 129.853537 | .00000164 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .374051 | < R2 > | .173039 | < 1/R > | 3.459770 | < 1/R**2 > | 16.609831 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.423680 | .38758107 |
| 2 | 2s | 7.567998 | -.83438979 |
| 3 | 3s | 6.829730 | -.29869628 |
| 4 | 4s | 30.505254 | .00187735 |
| 5 | 3s | 17.007228 | .00852968 |
| 6 | 4s | 5.705821 | -.01963198 |
| 7 | 4s | 1.099995 | -.00072594 |
| 8 | 5s | 80.481833 | .00001376 |
| 9 | 5s | 1.288867 | .00068711 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410290 | < R2 > | .199043 | < 1/R > | 3.571812 | < 1/R**2 > | 52.419919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586478 | 1.00955156 |
| 2 | 2s | 22.918493 | -.01618172 |
| 3 | 3s | 15.919955 | .01519329 |
| 4 | 4s | 32.622039 | -.00071702 |
| 5 | 4s | 11.935311 | .00374158 |
| 6 | 5s | 43.195826 | .00038452 |
| 7 | 5s | 14.129376 | -.00252273 |
| 8 | 2s | 31.114215 | -.00307454 |
| 9 | 2s | 64.166142 | .00012037 |
| 10 | 5s | 2.111490 | -.00000220 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086071 | < R2 > | .009951 | < 1/R > | 17.557536 | < 1/R**2 > | 621.362694 |
Total Energy= -520.77327273 a.u.
Kinetic Energy= 520.85342539 a.u.
Potential Energy= -1041.62669812 a.u.
Virial Ratio = -1.99984611