(1s 2 2s 2 2p 4 4p 1 ) 2 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 7.207322 | .18054885 |
| 2 | 3p | 1.546413 | 2.18083073 |
| 3 | 4p | 2.866050 | -1.60970388 |
| 4 | 5p | 5.175037 | -.17944862 |
| 5 | 3p | 13.752454 | -.00306244 |
| 6 | 5p | 1.447174 | -.21321796 |
| 7 | 4p | 1.072588 | .07834976 |
| 8 | 5p | 43.402152 | -.00004033 |
| 9 | 3p | .721492 | -.01217075 |
| ORB.ENERGY,a.u. | -1.798500 | ||
| NORM | 1.000001 | < R > | 2.798278 | < R2 > | 8.852002 | < 1/R > | .500613 | < 1/R**2 > | .722282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.125413 | 1.18379888 |
| 2 | 3p | 5.948132 | -.25287589 |
| 3 | 2p | 11.560972 | .06670921 |
| 4 | 4p | 13.578617 | .01199491 |
| 5 | 5p | 2.040645 | .00159897 |
| 6 | 5p | 35.492054 | -.00014786 |
| 7 | 4p | 4.115507 | -.00216660 |
| ORB.ENERGY,a.u. | -10.802000 | ||
| NORM | 1.000000 | < R > | .440964 | < R2 > | .238623 | < 1/R > | 2.912796 | < 1/R**2 > | 11.692902 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.058978 | .38510819 |
| 2 | 2s | 6.252632 | -.84574992 |
| 3 | 3s | 5.699943 | -.29773907 |
| 4 | 4s | 16.689903 | .00748072 |
| 5 | 3s | 18.755053 | .00742007 |
| 6 | 5s | 31.750149 | .00054440 |
| 7 | 5s | 4.870551 | -.00511937 |
| 8 | 4s | 3.438559 | .00194234 |
| 9 | 2s | 65.380862 | .00001593 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489875 | < R2 > | .282835 | < 1/R > | 2.981781 | < 1/R**2 > | 36.369686 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210065 | .92302775 |
| 2 | 1s | 20.949912 | .07344487 |
| 3 | 2s | 8.805251 | .02035812 |
| 4 | 3s | 10.758846 | -.02035057 |
| 5 | 4s | 13.277486 | .00951097 |
| 6 | 5s | 36.011802 | .00080964 |
| 7 | 4s | 82.104824 | -.00003746 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103545 | < R2 > | .014398 | < 1/R > | 14.596213 | < 1/R**2 > | 429.633196 |
Total Energy= -318.49054208 a.u.
Kinetic Energy= 318.48532598 a.u.
Potential Energy= -636.97586806 a.u.
Virial Ratio = -2.00001638