(1s 2 2s 2 2p 3 5d 1 ) 5 D Ar 10+
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 | 3.034055 | 1.18518883 |
| 2 | 4d | 2.257727 | -4.83980610 |
| 3 | 5d | 2.226280 | 4.40880867 |
| 4 | 3d | 6.749972 | .05700629 |
| 5 | 5d | 9.983063 | -.00958875 |
| 6 | 4d | 35.161783 | .00006257 |
| 7 | 5d | 1.847413 | -.02802218 |
| 8 | 4d | 87.126447 | .00000358 |
| ORB.ENERGY,a.u. | -2.500400 | ||
| NORM | 1.000002 | < R > | 3.026098 | < R2 > | 10.398387 | < 1/R > | .461962 | < 1/R**2 > | .449567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.272805 | 1.25033235 |
| 2 | 3p | 9.469079 | -.32465442 |
| 3 | 4p | 11.960453 | .06815800 |
| 4 | 5p | 23.272931 | .00343356 |
| 5 | 4p | 4.192408 | .00266870 |
| 6 | 5p | 23.195400 | -.00024799 |
| 7 | 5p | 3.981238 | -.00388683 |
| 8 | 3p | 2.799174 | .00310573 |
| ORB.ENERGY,a.u. | -22.350000 | ||
| NORM | 1.000000 | < R > | .336938 | < R2 > | .137965 | < 1/R > | 3.768839 | < 1/R**2 > | 19.320004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.111315 | .42671867 |
| 2 | 2s | 7.894374 | -.87016991 |
| 3 | 3s | 7.692784 | -.29185198 |
| 4 | 4s | 30.612978 | .00180896 |
| 5 | 3s | 16.606380 | .01470547 |
| 6 | 5s | 7.692790 | -.00996424 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .385729 | < R2 > | .174530 | < 1/R > | 3.806783 | < 1/R**2 > | 58.931867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185019 | .94510537 |
| 2 | 1s | 26.902348 | .05233695 |
| 3 | 2s | 15.416777 | .01874677 |
| 4 | 3s | 21.570830 | -.01475466 |
| 5 | 4s | 32.479381 | .00255590 |
| 6 | 5s | 60.961034 | .00010844 |
| 7 | 5s | 12.684864 | .00041153 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085710 | < R2 > | .009849 | < 1/R > | 17.604525 | < 1/R**2 > | 623.946513 |
Total Energy= -455.67141542 a.u.
Kinetic Energy= 455.68398994 a.u.
Potential Energy= -911.35540536 a.u.
Virial Ratio = -1.99997241