(1s 2 2s 2 2p 4 4d 1 ) 2 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 1.976761 | 1.40497459 |
| 2 | 4d | 1.756054 | -1.92133430 |
| 3 | 3d | 6.750140 | .02433941 |
| 4 | 4d | 4.706039 | .02411395 |
| 5 | 5d | 20.179327 | -.00010918 |
| ORB.ENERGY,a.u. | -1.561700 | ||
| NORM | 1.000000 | < R > | 2.916337 | < R2 > | 9.767266 | < 1/R > | .459157 | < 1/R**2 > | .353094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.150642 | 1.17676612 |
| 2 | 3p | 6.004275 | -.24526552 |
| 3 | 2p | 11.587281 | .06543669 |
| 4 | 4p | 13.556108 | .01209277 |
| 5 | 5p | 2.778635 | .00014132 |
| 6 | 5p | 35.451517 | -.00014991 |
| ORB.ENERGY,a.u. | -10.768000 | ||
| NORM | 1.000000 | < R > | .441014 | < R2 > | .238710 | < 1/R > | 2.913001 | < 1/R**2 > | 11.696000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.022540 | .38698465 |
| 2 | 2s | 6.263831 | -.84691701 |
| 3 | 3s | 5.687169 | -.29871575 |
| 4 | 4s | 16.542637 | .00754034 |
| 5 | 3s | 18.670661 | .00664211 |
| 6 | 5s | 30.700807 | .00076123 |
| 7 | 5s | 4.953525 | -.00393598 |
| 8 | 4s | 3.648691 | .00133103 |
| 9 | 3s | 49.530572 | -.00006247 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489753 | < R2 > | .282703 | < 1/R > | 2.982697 | < 1/R**2 > | 36.390830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210879 | .92279681 |
| 2 | 1s | 20.929100 | .07367264 |
| 3 | 2s | 8.784236 | .02035494 |
| 4 | 3s | 10.789987 | -.02029552 |
| 5 | 4s | 13.365018 | .00939219 |
| 6 | 5s | 35.992615 | .00085909 |
| 7 | 4s | 85.195240 | -.00003413 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103535 | < R2 > | .014395 | < 1/R > | 14.597137 | < 1/R**2 > | 429.676072 |
Total Energy= -318.28318783 a.u.
Kinetic Energy= 318.24959518 a.u.
Potential Energy= -636.53278301 a.u.
Virial Ratio = -2.00010555