(1s 2 5d 1 ) 2 D Ar 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 3.202948 | 3.53829642 |
| 2 | 4d | 3.202134 | -8.82511741 |
| 3 | 5d | 3.200913 | 5.98147457 |
| 4 | 3d | 12.550104 | .00096143 |
| 5 | 5d | 20.368017 | -.00040138 |
| 6 | 4d | 58.753504 | .00001101 |
| ORB.ENERGY,a.u. | -5.124900 | ||
| NORM | .999999 | < R > | 2.155429 | < R2 > | 5.269643 | < 1/R > | .640458 | < 1/R**2 > | .821346 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.380218 | .93923841 |
| 2 | 1s | 27.420489 | .04807153 |
| 3 | 2s | 22.016980 | .01737318 |
| 4 | 3s | 16.130234 | .00020994 |
| 5 | 4s | 59.485022 | -.00062348 |
| 6 | 5s | 73.224271 | .00020949 |
| 7 | 3s | 99.893575 | -.00002773 |
| ORB.ENERGY,a.u. | -150.760000 |
| NORM | 1.000000 | < R > | .085111 | < R2 > | .009685 | < 1/R > | 17.687334 | < 1/R**2 > | 628.621952 |
Total Energy= -317.98672476 a.u.
Kinetic Energy= 317.98264274 a.u.
Potential Energy= -635.96936750 a.u.
Virial Ratio = -2.00001284