(1s 2 2s 2 2p 6 3s 2 3p 3 5s 1 ) 5 S Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5s- electron | |
| 1 | 1s | 14.428691 | .03137673 |
| 2 | 2s | 5.751577 | -.14195102 |
| 3 | 3s | 3.113789 | .20646005 |
| 4 | 4s | 1.383310 | -.98585321 |
| 5 | 5s | .901709 | 1.31896687 |
| 6 | 2s | 1.643432 | .17970832 |
| 7 | 5s | 20.027113 | -.00116087 |
| 8 | 3s | .384507 | .00192207 |
| ORB.ENERGY,a.u. | -.347190 | ||
| NORM | 1.000000 | < R > | 6.572259 | < R2 > | 48.235048 | < 1/R > | .204785 | < 1/R**2 > | .382444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.656080 | .52943918 |
| 2 | 2p | 2.118663 | -1.15345139 |
| 3 | 3p | 11.357137 | -.05046035 |
| 4 | 4p | 5.899978 | .16047188 |
| 5 | 5p | 12.604884 | -.01896724 |
| 6 | 4p | 2.344502 | -.13276638 |
| 7 | 5p | 2.559681 | .04987721 |
| 8 | 3p | .728867 | .00147636 |
| 9 | 5p | 51.032429 | -.00002610 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.399425 | < R2 > | 2.263582 | < 1/R > | .955546 | < 1/R**2 > | 1.999431 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.814484 | 2.14289903 |
| 2 | 1s | 19.242659 | .02379670 |
| 3 | 2s | 6.576892 | -1.28040811 |
| 4 | 3s | 1.021734 | -.23498116 |
| 5 | 4s | 5.517686 | -.44906286 |
| 6 | 5s | 8.874533 | -.12415245 |
| 7 | 4s | 1.204924 | .19320044 |
| 8 | 3s | 57.026629 | -.00015395 |
| 9 | 4s | 86.868711 | .00004290 |
| 10 | 2s | 190.770462 | -.00000109 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.306143 | < R2 > | 1.951033 | < 1/R > | 1.046999 | < 1/R**2 > | 6.449409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.811840 | .46371615 |
| 2 | 3p | 8.132741 | .46803830 |
| 3 | 4p | 6.744596 | .15212496 |
| 4 | 5p | 5.209937 | .00873013 |
| 5 | 2p | 16.554064 | .01661635 |
| 6 | 5p | 14.581895 | -.00786234 |
| 7 | 4p | 60.027389 | .00002690 |
| 8 | 3p | 2.224225 | .00041395 |
| 9 | 3p | 23.014674 | -.00109292 |
| 10 | 2p | 119.461057 | -.00000097 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374847 | < R2 > | .173837 | < 1/R > | 3.453494 | < 1/R**2 > | 16.555033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.457097 | .38530281 |
| 2 | 2s | 7.568996 | -.81223262 |
| 3 | 3s | 6.880015 | -.27986641 |
| 4 | 4s | 30.517395 | .00175110 |
| 5 | 3s | 17.318841 | .00796178 |
| 6 | 2s | 4.087331 | -.05733052 |
| 7 | 5s | 3.102626 | -.01135669 |
| 8 | 4s | 2.805678 | .01409158 |
| 9 | 3s | .427424 | .00007342 |
| 10 | 5s | 77.742953 | .00000920 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411317 | < R2 > | .200150 | < 1/R > | 3.563075 | < 1/R**2 > | 52.185643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581224 | 1.00986117 |
| 2 | 2s | 22.364193 | -.01728900 |
| 3 | 3s | 14.945997 | .01750717 |
| 4 | 4s | 51.757868 | -.00051343 |
| 5 | 4s | 12.526891 | .00290223 |
| 6 | 5s | 61.829442 | .00011604 |
| 7 | 5s | 16.001063 | -.00407436 |
| 8 | 2s | 34.518840 | -.00228635 |
| 9 | 2s | 86.973304 | .00004112 |
| 10 | 5s | 3.115986 | -.00001962 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009956 | < 1/R > | 17.554764 | < 1/R**2 > | 621.209102 |
Total Energy= -524.20778023 a.u.
Kinetic Energy= 524.21175396 a.u.
Potential Energy= -1048.41953419 a.u.
Virial Ratio = -1.99999242