(1s 2 2s 1 5d 1 ) 3 D P 11+
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 | 2.369328 | 3.55934260 |
| 2 | 4d | 2.401702 | -9.03609455 |
| 3 | 5d | 2.420270 | 6.11061761 |
| 4 | 3d | 4.949796 | .03322210 |
| 5 | 5d | 34.645344 | .00000799 |
| 6 | 5d | 2.082280 | .02751834 |
| 7 | 4d | 10.676410 | .00417228 |
| 8 | 3d | 17.338929 | .00048088 |
| ORB.ENERGY,a.u. | -2.909500 | ||
| NORM | 1.000002 | < R > | 2.845031 | < R2 > | 9.181143 | < 1/R > | .486127 | < 1/R**2 > | .478105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.235051 | .42750278 |
| 2 | 2s | 6.504701 | -.81034709 |
| 3 | 3s | 7.696900 | -.30458522 |
| 4 | 5s | 13.091224 | -.02163366 |
| 5 | 4s | 25.869842 | .00708068 |
| 6 | 5s | 34.000226 | -.00185684 |
| 7 | 4s | 88.485660 | .00002544 |
| ORB.ENERGY,a.u. | -22.004000 | ||
| NORM | 1.000000 | < R > | .437162 | < R2 > | .222867 | < 1/R > | 3.373568 | < 1/R**2 > | 45.860139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.422010 | .93898852 |
| 2 | 1s | 22.903509 | .04866518 |
| 3 | 2s | 17.496818 | .01655081 |
| 4 | 3s | 10.897501 | .00166847 |
| 5 | 4s | 60.339654 | -.00046187 |
| 6 | 5s | 80.633891 | .00016895 |
| 7 | 5s | 7.404764 | .00010656 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102699 | < R2 > | .014117 | < 1/R > | 14.675043 | < 1/R**2 > | 433.285007 |
Total Energy= -241.09770592 a.u.
Kinetic Energy= 241.04890708 a.u.
Potential Energy= -482.14661300 a.u.
Virial Ratio = -2.00020244