(1s 2 2s 2 2p 6 3s 2 4d 1 ) 2 D P 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.027330 | .76568254 |
| 2 | 4d | .797065 | -1.41962416 |
| 3 | 3d | 2.001146 | .30438152 |
| 4 | 4d | 2.438460 | -.13163380 |
| 5 | 5d | 4.501152 | -.00662998 |
| 6 | 3d | 6.536772 | .00682764 |
| ORB.ENERGY,a.u. | -.315860 | ||
| NORM | 1.000001 | < R > | 6.095481 | < R2 > | 42.778311 | < 1/R > | .225879 | < 1/R**2 > | .094454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.156622 | -.11519601 |
| 2 | 1s | 10.747758 | .18641680 |
| 3 | 1s | 51.169153 | .00012685 |
| 4 | 2s | 4.794250 | -.36870252 |
| 5 | 3s | 2.115243 | .88865511 |
| 6 | 4s | 3.268727 | .16646569 |
| 7 | 3s | 30.892132 | -.00069535 |
| 8 | 5s | 2.171525 | .03758516 |
| ORB.ENERGY,a.u. | -1.571700 | ||
| NORM | 1.000000 | < R > | 1.706550 | < R2 > | 3.317037 | < 1/R > | .787109 | < 1/R**2 > | 3.548200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.144766 | .45345775 |
| 2 | 3p | 6.276173 | .49830978 |
| 3 | 4p | 5.021040 | .15201621 |
| 4 | 5p | 3.686151 | .00555646 |
| 5 | 2p | 17.648409 | .00434833 |
| 6 | 5p | 35.174097 | -.00018345 |
| 7 | 4p | 108.204407 | .00000426 |
| 8 | 3p | 224.046152 | .00000043 |
| ORB.ENERGY,a.u. | -6.198300 | ||
| NORM | 1.000000 | < R > | .482171 | < R2 > | .290073 | < 1/R > | 2.711459 | < 1/R**2 > | 10.317999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.234413 | .35901086 |
| 2 | 2s | 5.459637 | -.77339064 |
| 3 | 3s | 4.837992 | -.17032793 |
| 4 | 4s | 19.319764 | .00598423 |
| 5 | 2s | 6.612180 | -.17880654 |
| 6 | 3s | 20.996763 | .00368198 |
| 7 | 5s | 35.423873 | .00022635 |
| 8 | 4s | 3.524769 | -.00080041 |
| 9 | 2s | 64.182337 | .00001153 |
| ORB.ENERGY,a.u. | -8.262700 | ||
| NORM | 1.000000 | < R > | .513936 | < R2 > | .313522 | < 1/R > | 2.840594 | < 1/R**2 > | 33.246913 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570338 | 1.01434961 |
| 2 | 2s | 20.439029 | -.02219939 |
| 3 | 3s | 10.615219 | .01918557 |
| 4 | 4s | 58.614262 | -.00051500 |
| 5 | 4s | 10.095270 | .00283049 |
| 6 | 5s | 74.495258 | .00018909 |
| 7 | 5s | 12.476094 | -.00816678 |
| 8 | 2s | 2.725125 | -.00010164 |
| 9 | 2s | 3.257087 | .00023792 |
| 10 | 3s | 122.802311 | -.00000980 |
| ORB.ENERGY,a.u. | -80.167000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575253 | < 1/R**2 > | 428.683183 |
Total Energy= -338.88086625 a.u.
Kinetic Energy= 338.87944179 a.u.
Potential Energy= -677.76030804 a.u.
Virial Ratio = -2.00000420