(1s 2 2s 2 2p 6 3s 2 3p 3 5d 1 ) 5 D Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | 5d- electron | |
| 1 | 3d | 1.613422 | .24965600 |
| 2 | 4d | .669353 | -3.71708830 |
| 3 | 5d | .698308 | 3.80717402 |
| 4 | 3d | 2.605176 | .16809875 |
| 5 | 4d | 2.801494 | -.08945338 |
| 6 | 3d | 6.820587 | .01132306 |
| 7 | 3d | .472674 | .32039418 |
| 8 | 5d | 10.486880 | -.00177053 |
| 9 | 4d | 15.446893 | -.00024274 |
| 10 | 5d | .276394 | -.00173608 |
| ORB.ENERGY,a.u. | -.219660 | ||
| NORM | 1.000010 | < R > | 9.310992 | < R2 > | 98.069412 | < 1/R > | .150681 | < 1/R**2 > | .057248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.258598 | .61943889 |
| 2 | 2p | 1.983056 | -1.39160238 |
| 3 | 3p | 10.109429 | -.09136235 |
| 4 | 4p | 5.353808 | .13842960 |
| 5 | 5p | 11.248412 | -.02441824 |
| 6 | 3p | 1.983981 | .15074912 |
| 7 | 4p | 37.269728 | -.00014739 |
| 8 | 5p | 1.393841 | -.00031495 |
| 9 | 5p | 135.341959 | -.00000170 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.397851 | < R2 > | 2.257606 | < 1/R > | .956285 | < 1/R**2 > | 2.001752 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.487634 | .55882259 |
| 2 | 1s | 14.128447 | .11733494 |
| 3 | 2s | 5.228908 | -.64908487 |
| 4 | 3s | 2.870443 | .68823002 |
| 5 | 4s | 5.550059 | .09011703 |
| 6 | 2s | 8.821582 | -.12455295 |
| 7 | 4s | 28.102314 | .00093359 |
| 8 | 2s | 29.038998 | -.00031608 |
| 9 | 5s | 2.038048 | -.02792605 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.305633 | < R2 > | 1.948365 | < 1/R > | 1.047034 | < 1/R**2 > | 6.447710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 116.441530 | -.00000104 |
| 2 | 2p | 9.811372 | .46383227 |
| 3 | 3p | 8.132746 | .46794597 |
| 4 | 4p | 6.745213 | .15208776 |
| 5 | 5p | 5.211270 | .00872349 |
| 6 | 2p | 16.556729 | .01661020 |
| 7 | 5p | 14.585214 | -.00786490 |
| 8 | 4p | 60.126891 | .00002661 |
| 9 | 3p | 2.229320 | .00041313 |
| 10 | 3p | 23.032143 | -.00109114 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374820 | < R2 > | .173810 | < 1/R > | 3.453713 | < 1/R**2 > | 16.556971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463518 | .38502956 |
| 2 | 2s | 7.567453 | -.81206876 |
| 3 | 3s | 6.889968 | -.27991516 |
| 4 | 4s | 30.696555 | .00159101 |
| 5 | 3s | 17.565937 | .00792187 |
| 6 | 2s | 3.939517 | -.05931006 |
| 7 | 5s | 3.226266 | -.02007853 |
| 8 | 4s | 2.887989 | .02547365 |
| 9 | 3s | 1.637209 | -.00033792 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411337 | < R2 > | .200172 | < 1/R > | 3.562910 | < 1/R**2 > | 52.181133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581241 | 1.00986104 |
| 2 | 2s | 22.364223 | -.01728896 |
| 3 | 3s | 14.946097 | .01750705 |
| 4 | 4s | 51.758984 | -.00051348 |
| 5 | 4s | 12.527006 | .00290227 |
| 6 | 5s | 61.825624 | .00011600 |
| 7 | 5s | 16.001039 | -.00407431 |
| 8 | 2s | 34.518228 | -.00228621 |
| 9 | 2s | 86.938177 | .00004115 |
| 10 | 5s | 3.507595 | -.00001859 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009956 | < 1/R > | 17.554782 | < 1/R**2 > | 621.210324 |
Total Energy= -524.08244744 a.u.
Kinetic Energy= 524.08503034 a.u.
Potential Energy= -1048.16747778 a.u.
Virial Ratio = -1.99999507