(1s 2 2s 2 2p 1 4d 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | .269429 | 1.65189907 |
| 2 | 4d | .246934 | -2.12634630 |
| 3 | 3d | 1.605233 | .00775431 |
| 4 | 5d | .666853 | -.01396013 |
| 5 | 4d | 5.531559 | .00007512 |
| ORB.ENERGY,a.u. | -.031058 | ||
| NORM | .999995 | < R > | 21.076705 | < R2 > | 508.663162 | < 1/R > | .062773 | < 1/R**2 > | .006449 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.590868 | .81032479 |
| 2 | 2p | 2.560230 | .23189492 |
| 3 | 2p | 6.545559 | .01053582 |
| 4 | 3p | 2.714854 | -.05095563 |
| 5 | 4p | 1.495080 | .04340473 |
| 6 | 4p | 10.394153 | -.00060108 |
| ORB.ENERGY,a.u. | -.786460 | ||
| NORM | 1.000000 | < R > | 1.471895 | < R2 > | 2.686792 | < 1/R > | .885426 | < 1/R**2 > | 1.103806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580067 | .24031229 |
| 2 | 2s | 1.552623 | -.76084007 |
| 3 | 3s | 2.861695 | -.27231306 |
| 4 | 4s | 11.720594 | .00195922 |
| 5 | 5s | 5.912998 | -.02904055 |
| 6 | 5s | 1.871017 | .02771889 |
| 7 | 2s | 39.631569 | -.00000295 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475741 | < R2 > | 2.590313 | < 1/R > | .961059 | < 1/R**2 > | 3.715517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213003 | .71611627 |
| 2 | 1s | 8.200620 | .22613691 |
| 3 | 1s | 2.380054 | .00351213 |
| 4 | 2s | 6.450437 | .08053177 |
| 5 | 3s | 6.779985 | -.01401760 |
| 6 | 4s | 10.925924 | .00565249 |
| 7 | 5s | 42.347034 | -.00002665 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096880 | < 1/R > | 5.668479 | < 1/R**2 > | 65.302389 |
Total Energy= -37.32415131 a.u.
Kinetic Energy= 37.32328157 a.u.
Potential Energy= -74.64743288 a.u.
Virial Ratio = -2.00002330