(1s 2 2s 2 2p 2 3d 1 ) 4 F F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 1.063692 | .91866966 |
| 2 | 5d | 4.759941 | -.00173882 |
| 3 | 3d | 3.055101 | .06060191 |
| 4 | 4d | 2.167878 | .05578645 |
| 5 | 5d | 1.025521 | .01294154 |
| 6 | 4d | 20.916115 | .00003071 |
| ORB.ENERGY,a.u. | -.531360 | ||
| NORM | 1.000000 | < R > | 3.153925 | < R2 > | 11.574518 | < 1/R > | .380628 | < 1/R**2 > | .182063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.761634 | .78401997 |
| 2 | 2p | 4.528020 | .22386666 |
| 3 | 2p | 9.281915 | .01273708 |
| 4 | 3p | 1.666022 | .02344394 |
| 5 | 4p | 1.384221 | -.00975904 |
| 6 | 5p | 19.365046 | -.00078808 |
| 7 | 5p | 1.353504 | .00419716 |
| 8 | 4p | 28.060102 | -.00013956 |
| ORB.ENERGY,a.u. | -2.772000 | ||
| NORM | 1.000000 | < R > | .823310 | < R2 > | .836729 | < 1/R > | 1.570363 | < 1/R**2 > | 3.427525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.453303 | .33185971 |
| 2 | 2s | 3.413515 | -.85066826 |
| 3 | 3s | 3.086061 | -.25889496 |
| 4 | 4s | 10.535734 | .01453257 |
| 5 | 3s | 11.742411 | .01111301 |
| 6 | 5s | 3.007554 | -.01322370 |
| 7 | 5s | 36.794499 | -.00009613 |
| 8 | 2s | 50.202236 | .00001450 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .882349 | < R2 > | .921097 | < 1/R > | 1.634423 | < 1/R**2 > | 10.880961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278872 | .68786918 |
| 2 | 1s | 12.187317 | .22286877 |
| 3 | 1s | 2.697022 | .00559454 |
| 4 | 2s | 9.056320 | .12773656 |
| 5 | 3s | 10.138418 | -.02749173 |
| 6 | 4s | 16.982999 | .00344587 |
| 7 | 5s | 4.841841 | -.00124812 |
| 8 | 5s | 54.623014 | -.00002856 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175215 | < R2 > | .041290 | < 1/R > | 8.645781 | < 1/R**2 > | 151.238648 |
Total Energy= -95.83834620 a.u.
Kinetic Energy= 95.85101272 a.u.
Potential Energy= -191.68935892 a.u.
Virial Ratio = -1.99986785