(1s 2 2s 2 2p 1 3d 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3.738423 | .96323753 |
| 2 | 3d | 8.643223 | .01889032 |
| 3 | 4d | 3.225380 | .03554208 |
| 4 | 5d | 16.482136 | .00054960 |
| 5 | 5d | 2.935139 | -.00852920 |
| 6 | 4d | 42.802264 | .00002455 |
| 7 | 4d | 2.090391 | .00162144 |
| ORB.ENERGY,a.u. | -6.767800 | ||
| NORM | 1.000000 | < R > | .937780 | < R2 > | 1.009159 | < 1/R > | 1.252070 | < 1/R**2 > | 1.900484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 4p | 5.237577 | -.00257952 |
| 2 | 2p | 6.691934 | 1.07483348 |
| 3 | 3p | 8.050939 | -.08875651 |
| 4 | 2p | 16.473750 | .01232506 |
| 5 | 5p | 20.147639 | .00179217 |
| 6 | 4p | 31.841233 | -.00019150 |
| 7 | 5p | 6.659021 | .00706737 |
| ORB.ENERGY,a.u. | -19.303000 | ||
| NORM | 1.000000 | < R > | .366251 | < R2 > | .162262 | < 1/R > | 3.447807 | < 1/R**2 > | 16.064036 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.782655 | .37712181 |
| 2 | 2s | 6.088904 | -.80983854 |
| 3 | 3s | 8.850942 | -.28276069 |
| 4 | 4s | 29.980536 | .00120114 |
| 5 | 5s | 17.180951 | -.01002548 |
| 6 | 5s | 6.796959 | .01401051 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425673 | < R2 > | .212133 | < 1/R > | 3.450372 | < 1/R**2 > | 48.160450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177543 | .93832776 |
| 2 | 1s | 24.157009 | .05925373 |
| 3 | 2s | 14.653827 | .02484565 |
| 4 | 3s | 23.788539 | -.00867587 |
| 5 | 4s | 19.574294 | -.01246042 |
| 6 | 5s | 41.728989 | .00065779 |
| 7 | 5s | 9.058515 | .00006584 |
| 8 | 3s | 71.980201 | -.00003270 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096363 | < R2 > | .012436 | < 1/R > | 15.647284 | < 1/R**2 > | 492.747939 |
Total Energy= -323.32268007 a.u.
Kinetic Energy= 323.15090702 a.u.
Potential Energy= -646.47358708 a.u.
Virial Ratio = -2.00053156