(1s 2 2s 2 2p 1 5d 1 ) 1 D O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | .733846 | 1.59891511 |
| 2 | 4d | .670382 | -4.33999537 |
| 3 | 5d | .612299 | 3.19985430 |
| 4 | 3d | 2.204186 | .06049861 |
| 5 | 4d | .510746 | .12304011 |
| 6 | 5d | 1.922336 | .04932024 |
| 7 | 4d | 8.741743 | .00054208 |
| 8 | 5d | 6.196454 | .00204826 |
| 9 | 3d | 11.851951 | .00007949 |
| ORB.ENERGY,a.u. | -.188230 | ||
| NORM | 1.000004 | < R > | 10.935101 | < R2 > | 136.014148 | < 1/R > | .129417 | < 1/R**2 > | .036624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.632720 | .83543321 |
| 2 | 2p | 4.127239 | .16735488 |
| 3 | 2p | 9.450152 | .00706673 |
| 4 | 3p | 4.835727 | -.01733095 |
| 5 | 4p | 2.657541 | .03931663 |
| 6 | 4p | 13.546484 | -.00075163 |
| 7 | 5p | 1.077435 | -.00019482 |
| ORB.ENERGY,a.u. | -2.697300 | ||
| NORM | 1.000000 | < R > | .910340 | < R2 > | 1.014665 | < 1/R > | 1.409027 | < 1/R**2 > | 2.739097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.284897 | .28822120 |
| 2 | 2s | 2.433535 | -.75854459 |
| 3 | 3s | 4.088489 | -.28449773 |
| 4 | 4s | 15.000839 | .00207347 |
| 5 | 5s | 8.201738 | -.02011396 |
| 6 | 5s | 2.845638 | .03050905 |
| 7 | 4s | 33.191247 | .00002503 |
| 8 | 4s | 3.163135 | -.01111993 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983359 | < R2 > | 1.139314 | < 1/R > | 1.460891 | < 1/R**2 > | 8.641198 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355150 | .73314281 |
| 2 | 1s | 10.723695 | .19847235 |
| 3 | 1s | 3.594247 | .00393401 |
| 4 | 2s | 7.717679 | .09866733 |
| 5 | 3s | 8.680648 | -.02316780 |
| 6 | 4s | 14.551165 | .00527865 |
| 7 | 5s | 28.246349 | .00015020 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197789 | < R2 > | .052603 | < 1/R > | 7.660474 | < 1/R**2 > | 118.808448 |
Total Energy= -71.28038678 a.u.
Kinetic Energy= 71.28294111 a.u.
Potential Energy= -142.56332789 a.u.
Virial Ratio = -1.99996417