(1s 2 2s 1 3d 1 ) 1 D S 12+
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 | 4.331043 | .99734462 |
| 2 | 3d | 9.955822 | .01048313 |
| 3 | 4d | 9.537837 | -.00412599 |
| 4 | 5d | 28.838368 | -.00037981 |
| 5 | 4d | 49.828985 | -.00003415 |
| ORB.ENERGY,a.u. | -9.385700 | ||
| NORM | 1.000000 | < R > | .805909 | < R2 > | .743240 | < 1/R > | 1.450991 | < 1/R**2 > | 2.536576 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.128770 | .42709128 |
| 2 | 2s | 6.895756 | -.80754168 |
| 3 | 3s | 8.354488 | -.30001032 |
| 4 | 5s | 14.709677 | -.02496318 |
| 5 | 4s | 30.678418 | .00306863 |
| 6 | 5s | 43.584674 | -.00058439 |
| 7 | 4s | 2.709876 | .00004248 |
| ORB.ENERGY,a.u. | -24.466000 | ||
| NORM | 1.000000 | < R > | .407794 | < R2 > | .194029 | < 1/R > | 3.622968 | < 1/R**2 > | 52.914836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.410043 | .93915564 |
| 2 | 1s | 24.403666 | .04816787 |
| 3 | 2s | 18.916952 | .01675693 |
| 4 | 3s | 11.466862 | .00167995 |
| 5 | 4s | 64.047778 | -.00044059 |
| 6 | 5s | 85.436940 | .00016115 |
| 7 | 5s | 8.126737 | .00013628 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096131 | < R2 > | .012367 | < 1/R > | 15.673869 | < 1/R**2 > | 494.103442 |
Total Energy= -281.86940755 a.u.
Kinetic Energy= 281.37420245 a.u.
Potential Energy= -563.24360999 a.u.
Virial Ratio = -2.00175995