(1s 2 2s 2 2p 1 3d 1 ) 1 F C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | .329136 | .95906847 |
| 2 | 4d | .425455 | .04187111 |
| 3 | 5d | 1.635912 | -.00289111 |
| 4 | 3d | 2.485655 | .00078607 |
| ORB.ENERGY,a.u. | -.055033 | ||
| NORM | 1.000000 | < R > | 10.640441 | < R2 > | 129.165323 | < 1/R > | .109360 | < 1/R**2 > | .014301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.548979 | .59140695 |
| 2 | 2p | 2.223273 | .46180183 |
| 3 | 2p | 6.927192 | .00802131 |
| 4 | 3p | 2.835591 | -.09498405 |
| 5 | 4p | 1.733146 | .07457780 |
| 6 | 4p | 9.281114 | -.00070010 |
| 7 | 5p | .785196 | -.00236484 |
| 8 | 3p | .932027 | .00574064 |
| ORB.ENERGY,a.u. | -.710210 | ||
| NORM | 1.000000 | < R > | 1.469480 | < R2 > | 2.675101 | < 1/R > | .886262 | < 1/R**2 > | 1.105412 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579514 | .24031680 |
| 2 | 2s | 1.558808 | -.75791318 |
| 3 | 3s | 2.864097 | -.27243249 |
| 4 | 4s | 11.558496 | .00228641 |
| 5 | 5s | 5.896271 | -.02802638 |
| 6 | 5s | 1.804387 | .02644210 |
| 7 | 4s | 28.112893 | .00002929 |
| 8 | 4s | 1.286082 | -.00359145 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475924 | < R2 > | 2.591068 | < 1/R > | .960952 | < 1/R**2 > | 3.714731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213006 | .71611153 |
| 2 | 1s | 8.200551 | .22613769 |
| 3 | 1s | 2.382078 | .00352520 |
| 4 | 2s | 6.450284 | .08052618 |
| 5 | 3s | 6.779552 | -.01401959 |
| 6 | 4s | 10.925842 | .00565107 |
| 7 | 5s | 42.336155 | -.00002668 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268105 | < R2 > | .096881 | < 1/R > | 5.668463 | < 1/R**2 > | 65.302108 |
Total Energy= -37.34892663 a.u.
Kinetic Energy= 37.34725699 a.u.
Potential Energy= -74.69618362 a.u.
Virial Ratio = -2.00004471