(1s 2 2s 2 2p 6 3s 1 3d 1 ) 1 D P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 1.256083 | 1.27739234 |
| 2 | 4d | 1.317559 | -.39814955 |
| 3 | 3d | 2.683721 | .25873388 |
| 4 | 4d | 3.105724 | -.11546941 |
| 5 | 5d | 5.790455 | -.00814915 |
| 6 | 3d | 7.460261 | .00618224 |
| ORB.ENERGY,a.u. | -.928970 | ||
| NORM | 1.000000 | < R > | 2.360047 | < R2 > | 6.521926 | < 1/R > | .513914 | < 1/R**2 > | .337482 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.332048 | -.07143679 |
| 2 | 1s | 12.139777 | .00743868 |
| 3 | 1s | 12.158451 | .11644280 |
| 4 | 2s | 5.146323 | -.38695652 |
| 5 | 3s | 2.092186 | .80349727 |
| 6 | 4s | 3.186075 | .32676453 |
| 7 | 5s | 15.269932 | -.00623261 |
| 8 | 4s | 31.303597 | .00024904 |
| 9 | 2s | .255874 | .00006674 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.651965 | < R2 > | 3.104348 | < 1/R > | .820929 | < 1/R**2 > | 3.943984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.134897 | .45623104 |
| 2 | 3p | 6.264881 | .49890398 |
| 3 | 4p | 5.004615 | .15216783 |
| 4 | 5p | 3.544163 | .00536597 |
| 5 | 2p | 17.875294 | .00422358 |
| 6 | 5p | 35.776740 | -.00014842 |
| 7 | 3p | 3.031762 | -.00447331 |
| 8 | 3p | 80.718905 | .00000236 |
| 9 | 4p | 1.071603 | .00003141 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480947 | < R2 > | .288357 | < 1/R > | 2.716578 | < 1/R**2 > | 10.351719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.192568 | .36043432 |
| 2 | 2s | 6.053117 | -.82719671 |
| 3 | 3s | 5.150640 | -.30357875 |
| 4 | 4s | 23.879346 | .00219518 |
| 5 | 3s | 15.265061 | .00848777 |
| 6 | 2s | 2.252636 | -.00857286 |
| 7 | 4s | .596993 | -.00092159 |
| 8 | 5s | 48.620243 | .00004170 |
| 9 | 5s | .711820 | .00088830 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514770 | < R2 > | .314802 | < 1/R > | 2.836977 | < 1/R**2 > | 33.172833 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570593 | 1.01433903 |
| 2 | 2s | 20.434885 | -.02220865 |
| 3 | 3s | 10.627514 | .01920594 |
| 4 | 4s | 58.235629 | -.00049944 |
| 5 | 4s | 10.091850 | .00282958 |
| 6 | 5s | 73.920894 | .00017640 |
| 7 | 5s | 12.492519 | -.00815594 |
| 8 | 2s | 2.498369 | -.00013912 |
| 9 | 2s | 3.110707 | .00025614 |
| 10 | 3s | 117.526925 | -.00001065 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103785 | < R2 > | .014482 | < 1/R > | 14.575418 | < 1/R**2 > | 428.692928 |
Total Energy= -337.90173049 a.u.
Kinetic Energy= 337.66671547 a.u.
Potential Energy= -675.56844596 a.u.
Virial Ratio = -2.00069600