(1s 2 2s 2 2p 3 5d 1 ) 3 D Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.847295 | 1.47048794 |
| 2 | 4d | 2.210035 | -5.66540050 |
| 3 | 5d | 2.205483 | 4.98187246 |
| 4 | 3d | 7.219307 | .03329828 |
| 5 | 5d | 10.749734 | -.00782124 |
| 6 | 4d | 33.365460 | .00007118 |
| 7 | 5d | 1.809821 | -.02456421 |
| 8 | 4d | 81.334048 | .00000459 |
| ORB.ENERGY,a.u. | -2.459900 | ||
| NORM | 1.000001 | < R > | 3.077280 | < R2 > | 10.758502 | < 1/R > | .454079 | < 1/R**2 > | .429146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.274727 | 1.25013309 |
| 2 | 3p | 9.464664 | -.32505497 |
| 3 | 4p | 11.960708 | .06874259 |
| 4 | 5p | 23.331496 | .00327627 |
| 5 | 4p | 4.726617 | .00363101 |
| 6 | 5p | 23.447423 | -.00013724 |
| 7 | 5p | 4.455780 | -.00119138 |
| ORB.ENERGY,a.u. | -22.310000 | ||
| NORM | 1.000000 | < R > | .336835 | < R2 > | .137890 | < 1/R > | 3.770022 | < 1/R**2 > | 19.331405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.074321 | .42840840 |
| 2 | 2s | 7.909043 | -.87440831 |
| 3 | 3s | 7.625417 | -.29344963 |
| 4 | 4s | 30.643379 | .00179196 |
| 5 | 3s | 16.500606 | .01557112 |
| 6 | 5s | 7.509200 | -.00629853 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .385727 | < R2 > | .174528 | < 1/R > | 3.806824 | < 1/R**2 > | 58.933386 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185019 | .94510415 |
| 2 | 1s | 26.901728 | .05233809 |
| 3 | 2s | 15.412787 | .01874936 |
| 4 | 3s | 21.569221 | -.01475502 |
| 5 | 4s | 32.476165 | .00255637 |
| 6 | 5s | 60.941251 | .00010847 |
| 7 | 5s | 12.670485 | .00040913 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085711 | < R2 > | .009849 | < 1/R > | 17.604481 | < 1/R**2 > | 623.943955 |
Total Energy= -455.67104999 a.u.
Kinetic Energy= 455.64343492 a.u.
Potential Energy= -911.31448491 a.u.
Virial Ratio = -2.00006061