(1s 2 2s 2 2p 4 3d 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 2.465857 | 1.13356166 |
| 2 | 3d | 6.393312 | .04097694 |
| 3 | 4d | 3.065397 | -.15727104 |
| 4 | 5d | 5.805277 | .00118123 |
| 5 | 5d | 1.998363 | .00254461 |
| 6 | 4d | 44.262454 | .00001188 |
| ORB.ENERGY,a.u. | -2.843100 | ||
| NORM | 1.000000 | < R > | 1.386337 | < R2 > | 2.226904 | < 1/R > | .859389 | < 1/R**2 > | .915340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.898457 | 1.26433699 |
| 2 | 3p | 5.574340 | -.35190401 |
| 3 | 2p | 11.305475 | .07758642 |
| 4 | 4p | 13.362437 | .01501655 |
| 5 | 5p | 4.953285 | -.00678165 |
| 6 | 4p | 3.612087 | .00255788 |
| 7 | 3p | 45.793923 | .00003052 |
| ORB.ENERGY,a.u. | -10.371000 | ||
| NORM | 1.000000 | < R > | .442446 | < R2 > | .240604 | < 1/R > | 2.906852 | < 1/R**2 > | 11.656618 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.009213 | .38710206 |
| 2 | 2s | 6.272753 | -.84640444 |
| 3 | 3s | 5.684224 | -.29846994 |
| 4 | 4s | 16.457971 | .00893107 |
| 5 | 3s | 19.705637 | .00585364 |
| 6 | 5s | 29.427123 | .00096220 |
| 7 | 5s | 5.295976 | -.00602810 |
| 8 | 3s | 46.970974 | -.00009081 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .490588 | < R2 > | .283847 | < 1/R > | 2.978399 | < 1/R**2 > | 36.298070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211226 | .92279223 |
| 2 | 1s | 20.928027 | .07367425 |
| 3 | 2s | 8.789956 | .02033773 |
| 4 | 3s | 10.795954 | -.02028472 |
| 5 | 4s | 13.368284 | .00938626 |
| 6 | 5s | 36.061654 | .00086580 |
| 7 | 4s | 85.251587 | -.00003286 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103532 | < R2 > | .014394 | < 1/R > | 14.597460 | < 1/R**2 > | 429.691236 |
Total Energy= -319.54872590 a.u.
Kinetic Energy= 319.53125347 a.u.
Potential Energy= -639.07997937 a.u.
Virial Ratio = -2.00005468