(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 P P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | .755003 | .58129367 |
| 2 | 4d | .434097 | -3.34087186 |
| 3 | 5d | .393708 | 3.01490551 |
| 4 | 3d | 2.599751 | .06592335 |
| 5 | 4d | 3.722071 | -.01735602 |
| 6 | 5d | .762935 | .52552899 |
| 7 | 3d | 7.903360 | .00081654 |
| 8 | 4d | .225962 | -.01453189 |
| 9 | 5d | 26.305915 | -.00001351 |
| ORB.ENERGY,a.u. | -.081706 | ||
| NORM | .999993 | < R > | 16.593929 | < R2 > | 316.347678 | < 1/R > | .091003 | < 1/R**2 > | .021349 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.861982 | .31791253 |
| 2 | 2p | 1.401564 | -.75357994 |
| 3 | 3p | 1.810947 | -.35271109 |
| 4 | 2p | 7.722775 | .11305625 |
| 5 | 3p | 11.012093 | -.01111530 |
| 6 | 4p | 1.243395 | -.00941351 |
| 7 | 5p | 18.983891 | .00106982 |
| 8 | 5p | 1.222151 | .00231640 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.988022 | < R2 > | 4.568781 | < 1/R > | .664480 | < 1/R**2 > | .976232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.241856 | -.19049311 |
| 2 | 1s | 10.722684 | .17792248 |
| 3 | 1s | 44.920029 | .00018511 |
| 4 | 2s | 4.740505 | -.25361392 |
| 5 | 3s | 1.980865 | .88023589 |
| 6 | 4s | 3.400191 | .18603726 |
| 7 | 3s | 29.810233 | -.00064859 |
| 8 | 5s | 1.784444 | .02486542 |
| 9 | 4s | .789101 | -.00030039 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.771648 | < R2 > | 3.592527 | < 1/R > | .756714 | < 1/R**2 > | 3.257649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.924443 | .47487830 |
| 2 | 3p | 6.070892 | .49854668 |
| 3 | 4p | 4.809223 | .12604050 |
| 4 | 5p | 3.125429 | .00313323 |
| 5 | 2p | 15.366338 | .00812258 |
| 6 | 4p | 26.421703 | -.00068363 |
| 7 | 3p | 32.752478 | -.00008224 |
| 8 | 3p | .965059 | .00007614 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .482936 | < R2 > | .291171 | < 1/R > | 2.708356 | < 1/R**2 > | 10.297887 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195326 | .36022526 |
| 2 | 2s | 5.445999 | -.77637165 |
| 3 | 3s | 4.880260 | -.17106675 |
| 4 | 5s | 24.144496 | .00152744 |
| 5 | 2s | 6.753345 | -.17542619 |
| 6 | 3s | 15.561631 | .00745449 |
| 7 | 4s | 3.773706 | -.00387757 |
| 8 | 4s | 28.496885 | .00132827 |
| 9 | 5s | 1.880473 | -.00005973 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514726 | < R2 > | .314616 | < 1/R > | 2.836500 | < 1/R**2 > | 33.159305 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560844 | 1.01529215 |
| 2 | 2s | 19.685491 | -.02550275 |
| 3 | 3s | 11.157257 | .01966713 |
| 4 | 4s | 50.954155 | -.00002060 |
| 5 | 4s | 29.799870 | .00126852 |
| 6 | 2s | 59.818118 | .00003392 |
| 7 | 5s | 13.214882 | -.00537269 |
| 8 | 3s | 6.721186 | .00075547 |
| 9 | 4s | 1.693311 | -.00000325 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574423 | < 1/R**2 > | 428.645558 |
Total Energy= -339.73535471 a.u.
Kinetic Energy= 339.72673724 a.u.
Potential Energy= -679.46209195 a.u.
Virial Ratio = -2.00002537