(1s 2 2s 2 3d 1 ) 2 D Ar 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 4.741783 | .96209554 |
| 2 | 3d | 7.264418 | .06579778 |
| 3 | 4d | 8.612838 | -.02197596 |
| 4 | 5d | 27.143785 | -.00033408 |
| 5 | 4d | 4.053304 | .00119896 |
| ORB.ENERGY,a.u. | -11.128000 | ||
| NORM | 1.000000 | < R > | .726432 | < R2 > | .605496 | < 1/R > | 1.614715 | < 1/R**2 > | 3.151822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.985966 | .41220068 |
| 2 | 2s | 7.477922 | -.81606053 |
| 3 | 3s | 9.654716 | -.28846690 |
| 4 | 5s | 18.331107 | -.01497450 |
| 5 | 4s | 37.459066 | .00135597 |
| 6 | 5s | 58.564640 | -.00017310 |
| 7 | 5s | 5.107086 | .00013154 |
| ORB.ENERGY,a.u. | -29.668000 | ||
| NORM | 1.000000 | < R > | .366201 | < R2 > | .156700 | < 1/R > | 4.025664 | < 1/R**2 > | 65.281373 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.079312 | .93476631 |
| 2 | 1s | 26.825398 | .06406690 |
| 3 | 2s | 18.886900 | .01966470 |
| 4 | 3s | 20.783588 | -.01671697 |
| 5 | 5s | 42.146351 | .00082003 |
| 6 | 4s | 97.279455 | -.00003806 |
| 7 | 5s | 21.583609 | -.00098264 |
| ORB.ENERGY,a.u. | -143.040000 |
| NORM | 1.000000 | < R > | .085223 | < R2 > | .009714 | < 1/R > | 17.669942 | < 1/R**2 > | 627.571900 |
Total Energy= -388.67171186 a.u.
Kinetic Energy= 388.65961989 a.u.
Potential Energy= -777.33133174 a.u.
Virial Ratio = -2.00003111