(1s 2 2s 2 2p 6 3s 1 4d 1 ) 1 D P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .993126 | 2.56678547 |
| 2 | 4d | 1.051888 | -3.00876068 |
| 3 | 5d | 1.778997 | -.13437889 |
| 4 | 4d | 4.024683 | .06034483 |
| 5 | 3d | 5.931981 | .02230978 |
| 6 | 5d | .933775 | -.04375888 |
| 7 | 5d | 12.242934 | -.00011053 |
| 8 | 4d | 43.350909 | .00000354 |
| ORB.ENERGY,a.u. | -.527750 | ||
| NORM | 1.000002 | < R > | 4.844897 | < R2 > | 27.242786 | < 1/R > | .287334 | < 1/R**2 > | .148951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.193459 | -.07410469 |
| 2 | 1s | 12.334671 | .00449683 |
| 3 | 1s | 12.213667 | .11912480 |
| 4 | 2s | 5.085420 | -.39954374 |
| 5 | 3s | 2.160178 | .84465524 |
| 6 | 4s | 3.123408 | .29240079 |
| 7 | 5s | 15.295787 | -.00701775 |
| 8 | 4s | 35.121486 | .00025608 |
| 9 | 3s | 76.178092 | .00001403 |
| 10 | 2s | .855218 | .00301660 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.634093 | < R2 > | 3.030433 | < 1/R > | .828615 | < 1/R**2 > | 4.005860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.133169 | .45642470 |
| 2 | 3p | 6.265844 | .49843385 |
| 3 | 4p | 5.008069 | .15190363 |
| 4 | 5p | 3.335898 | .00626318 |
| 5 | 2p | 17.835925 | .00426871 |
| 6 | 5p | 35.935400 | -.00014866 |
| 7 | 3p | 2.430694 | -.00536912 |
| 8 | 3p | 82.303214 | .00000224 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480678 | < R2 > | .287921 | < 1/R > | 2.717372 | < 1/R**2 > | 10.356061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.198155 | .36037149 |
| 2 | 2s | 6.052360 | -.82664359 |
| 3 | 3s | 5.156306 | -.30413115 |
| 4 | 4s | 23.981703 | .00189385 |
| 5 | 3s | 15.547135 | .00863217 |
| 6 | 2s | 2.417963 | -.00745335 |
| 7 | 5s | 96.250461 | -.00000649 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514361 | < R2 > | .314156 | < 1/R > | 2.838603 | < 1/R**2 > | 33.204850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570538 | 1.01434012 |
| 2 | 2s | 20.436148 | -.02221007 |
| 3 | 3s | 10.625526 | .01921095 |
| 4 | 4s | 58.218447 | -.00049903 |
| 5 | 4s | 10.097046 | .00282723 |
| 6 | 5s | 73.919527 | .00017633 |
| 7 | 5s | 12.491723 | -.00815673 |
| 8 | 2s | 2.478544 | -.00014138 |
| 9 | 2s | 3.098409 | .00025760 |
| 10 | 3s | 117.307572 | -.00001059 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103785 | < R2 > | .014482 | < 1/R > | 14.575346 | < 1/R**2 > | 428.689543 |
Total Energy= -337.32105301 a.u.
Kinetic Energy= 337.26530102 a.u.
Potential Energy= -674.58635403 a.u.
Virial Ratio = -2.00016531