(1s 2 2s 2 2p 2 3d 1 ) 4 F P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3.147300 | 1.09663130 |
| 2 | 3d | 6.720948 | .04812021 |
| 3 | 4d | 3.613036 | -.13000977 |
| 4 | 5d | 22.017962 | -.00022487 |
| 5 | 4d | 57.530311 | .00000292 |
| ORB.ENERGY,a.u. | -4.768100 | ||
| NORM | 1.000000 | < R > | 1.069011 | < R2 > | 1.320948 | < 1/R > | 1.108521 | < 1/R**2 > | 1.506540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.727168 | 1.18345247 |
| 2 | 3p | 6.734489 | -.21016351 |
| 3 | 2p | 14.139284 | .02171129 |
| 4 | 4p | 15.410193 | .00503093 |
| 5 | 5p | 32.995312 | -.00026503 |
| 6 | 5p | 4.590402 | .00210650 |
| ORB.ENERGY,a.u. | -14.550000 | ||
| NORM | 1.000000 | < R > | .412679 | < R2 > | .207361 | < 1/R > | 3.082328 | < 1/R**2 > | 12.944127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922507 | .41049709 |
| 2 | 2s | 6.448502 | -.85371493 |
| 3 | 3s | 6.559593 | -.28085126 |
| 4 | 4s | 24.747571 | .00215171 |
| 5 | 3s | 14.422737 | .01588303 |
| 6 | 5s | 6.424835 | -.02783548 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468814 | < R2 > | .257956 | < 1/R > | 3.123827 | < 1/R**2 > | 39.645119 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110517 | .92170796 |
| 2 | 1s | 21.589946 | .07718775 |
| 3 | 2s | 13.484246 | .01931314 |
| 4 | 3s | 16.734191 | -.01553492 |
| 5 | 5s | 35.689994 | .00099011 |
| 6 | 4s | 86.616389 | -.00003314 |
| 7 | 5s | 11.437954 | .00053998 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103180 | < R2 > | .014274 | < 1/R > | 14.629039 | < 1/R**2 > | 431.130458 |
Total Energy= -296.38293409 a.u.
Kinetic Energy= 296.46355398 a.u.
Potential Energy= -592.84648807 a.u.
Virial Ratio = -1.99972806