(1s 2 2s 2 2p 1 3p 1 ) 1 D F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 3p | 1.534420 | -1.17901979 |
| 2 | 2p | 2.270983 | .31146196 |
| 3 | 2p | 7.168043 | .01007240 |
| 4 | 4p | 7.989053 | .00193143 |
| 5 | 5p | 6.264825 | -.00854483 |
| ORB.ENERGY,a.u. | -1.116700 | ||
| NORM | 1.000000 | < R > | 2.507700 | < R2 > | 6.988487 | < 1/R > | .453171 | < 1/R**2 > | .264477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.250942 | .81456037 |
| 2 | 2p | 4.139817 | .22760467 |
| 3 | 2p | 14.960360 | .00385379 |
| 4 | 3p | 1.504847 | -.23449201 |
| 5 | 4p | 3.403048 | .08338235 |
| 6 | 4p | 6.531185 | -.02792317 |
| 7 | 3p | 14.325146 | .00308277 |
| 8 | 5p | 1.431658 | .00285393 |
| ORB.ENERGY,a.u. | -3.716600 | ||
| NORM | 1.000000 | < R > | .740956 | < R2 > | .750088 | < 1/R > | 1.753851 | < 1/R**2 > | 4.172316 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.155550 | .30235076 |
| 2 | 2s | 2.828474 | -.76563203 |
| 3 | 3s | 4.614912 | -.28832137 |
| 4 | 4s | 16.352226 | .00155236 |
| 5 | 5s | 8.951935 | -.01402126 |
| 6 | 5s | 3.472976 | .03470173 |
| 7 | 4s | 8.331782 | -.01403123 |
| 8 | 3s | 20.191883 | -.00009960 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .847920 | < R2 > | .846250 | < 1/R > | 1.702702 | < 1/R**2 > | 11.755963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.043577 | .85181768 |
| 2 | 1s | 12.619249 | .14445720 |
| 3 | 1s | 3.579044 | .00134532 |
| 4 | 2s | 10.935310 | .02086297 |
| 5 | 3s | 9.777234 | -.01587951 |
| 6 | 4s | 16.452387 | .00404064 |
| 7 | 5s | 62.583689 | -.00002181 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174896 | < R2 > | .041102 | < 1/R > | 8.655334 | < 1/R**2 > | 151.492343 |
Total Energy= -93.25336940 a.u.
Kinetic Energy= 93.24326468 a.u.
Potential Energy= -186.49663408 a.u.
Virial Ratio = -2.00010837