(1s 2 2s 2 2p 1 3d 1 ) 1 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | .308393 | 1.05384343 |
| 2 | 3d | 2.268549 | .00275264 |
| 3 | 4d | .529034 | .03660496 |
| 4 | 5d | 4.859158 | -.00031983 |
| 5 | 4d | 7.721357 | -.00006033 |
| 6 | 5d | .336237 | -.10553943 |
| ORB.ENERGY,a.u. | -.054390 | ||
| NORM | 1.000000 | < R > | 10.774810 | < R2 > | 132.368851 | < 1/R > | .107973 | < 1/R**2 > | .013957 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.587980 | .79516364 |
| 2 | 2p | 2.536574 | .24180916 |
| 3 | 2p | 6.438359 | .01117184 |
| 4 | 3p | 2.739674 | -.04772786 |
| 5 | 4p | 1.548065 | .04442850 |
| 6 | 4p | 10.579282 | -.00069331 |
| 7 | 5p | .676155 | -.00037604 |
| ORB.ENERGY,a.u. | -.709570 | ||
| NORM | 1.000000 | < R > | 1.469067 | < R2 > | 2.674083 | < 1/R > | .886543 | < 1/R**2 > | 1.106063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579816 | .24029343 |
| 2 | 2s | 1.547614 | -.76523096 |
| 3 | 3s | 2.874454 | -.27164296 |
| 4 | 4s | 11.511833 | .00210203 |
| 5 | 5s | 5.912165 | -.02795447 |
| 6 | 5s | 1.879401 | .03106921 |
| 7 | 2s | 30.831253 | -.00000599 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475952 | < R2 > | 2.591147 | < 1/R > | .960928 | < 1/R**2 > | 3.714544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212910 | .71610317 |
| 2 | 1s | 8.200649 | .22614739 |
| 3 | 1s | 2.381829 | .00352430 |
| 4 | 2s | 6.450521 | .08053037 |
| 5 | 3s | 6.779812 | -.01402443 |
| 6 | 4s | 10.925786 | .00565173 |
| 7 | 5s | 42.341685 | -.00002667 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268106 | < R2 > | .096882 | < 1/R > | 5.668455 | < 1/R**2 > | 65.301967 |
Total Energy= -37.34888450 a.u.
Kinetic Energy= 37.34661370 a.u.
Potential Energy= -74.69549819 a.u.
Virial Ratio = -2.00006080