(1s 2 2s 2 2p 5 4d 1 ) 3 F Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 4d- electron | |
| 1 | 3d | 2.681581 | 1.18511943 |
| 2 | 4d | 2.289595 | -1.73817137 |
| 3 | 3d | 7.896071 | .04061797 |
| 4 | 5d | 25.697839 | -.00010440 |
| 5 | 4d | 5.731178 | .04711116 |
| ORB.ENERGY,a.u. | -2.649100 | ||
| NORM | 1.000000 | < R > | 2.205747 | < R2 > | 5.588651 | < 1/R > | .609363 | < 1/R**2 > | .630249 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.393366 | 1.16968136 |
| 2 | 3p | 7.563785 | -.23209604 |
| 3 | 2p | 13.989839 | .06140339 |
| 4 | 4p | 16.916161 | .00951092 |
| 5 | 5p | 4.954076 | .00100433 |
| 6 | 4p | 3.035330 | -.00047378 |
| 7 | 4p | 75.861712 | .00001783 |
| ORB.ENERGY,a.u. | -16.945000 | ||
| NORM | 1.000000 | < R > | .359209 | < R2 > | .158292 | < 1/R > | 3.573917 | < 1/R**2 > | 17.584044 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.350290 | .39959548 |
| 2 | 2s | 7.676120 | -.84558052 |
| 3 | 3s | 7.005404 | -.30614527 |
| 4 | 4s | 19.549323 | .00439810 |
| 5 | 3s | 21.403084 | .00697525 |
| 6 | 5s | 38.780987 | .00042271 |
| 7 | 5s | 5.814610 | -.00369502 |
| 8 | 4s | 4.048771 | .00187511 |
| 9 | 3s | 2.726757 | -.00042488 |
| 10 | 2s | 76.567966 | .00001444 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400936 | < R2 > | .189354 | < 1/R > | 3.655387 | < 1/R**2 > | 54.687101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052974 |
| 2 | 1s | 25.174653 | .06482639 |
| 3 | 2s | 10.855380 | .02185332 |
| 4 | 3s | 13.391957 | -.02196943 |
| 5 | 4s | 16.617172 | .01065771 |
| 6 | 5s | 42.976242 | .00068774 |
| 7 | 4s | 98.959461 | -.00003215 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572746 | < 1/R**2 > | 622.202323 |
Total Energy= -493.11920316 a.u.
Kinetic Energy= 493.12859473 a.u.
Potential Energy= -986.24779789 a.u.
Virial Ratio = -1.99998096