(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 F P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | .923246 | .35530165 |
| 2 | 4d | .399490 | -4.85434155 |
| 3 | 5d | .434008 | 5.23445286 |
| 4 | 3d | 2.306352 | .17321946 |
| 5 | 4d | 3.226768 | -.13637504 |
| 6 | 5d | 4.028521 | .04429134 |
| 7 | 3d | .201359 | .03667130 |
| 8 | 4d | 20.774034 | .00002202 |
| 9 | 4d | .164649 | -.00625847 |
| ORB.ENERGY,a.u. | -.093366 | ||
| NORM | .999994 | < R > | 14.639696 | < R2 > | 242.652005 | < 1/R > | .096359 | < 1/R**2 > | .023009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.859215 | .31669111 |
| 2 | 2p | 1.398038 | -.75687549 |
| 3 | 3p | 1.798659 | -.35479455 |
| 4 | 2p | 7.711114 | .11356375 |
| 5 | 3p | 11.025068 | -.01115865 |
| 6 | 4p | .643855 | -.00483240 |
| 7 | 5p | 19.163660 | .00103029 |
| 8 | 5p | .874755 | .00650941 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.986502 | < R2 > | 4.556607 | < 1/R > | .664263 | < 1/R**2 > | .974498 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.246580 | -.19040155 |
| 2 | 1s | 10.720578 | .17801825 |
| 3 | 1s | 44.710809 | .00018816 |
| 4 | 2s | 4.739898 | -.25379493 |
| 5 | 3s | 1.980355 | .88068821 |
| 6 | 4s | 3.400655 | .18585335 |
| 7 | 3s | 29.755954 | -.00064861 |
| 8 | 5s | 1.804194 | .02399483 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.771331 | < R2 > | 3.590752 | < 1/R > | .756767 | < 1/R**2 > | 3.257773 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.924424 | .47488325 |
| 2 | 3p | 6.070924 | .49853846 |
| 3 | 4p | 4.809467 | .12603590 |
| 4 | 5p | 3.139164 | .00310833 |
| 5 | 2p | 15.366025 | .00812343 |
| 6 | 4p | 26.422958 | -.00068355 |
| 7 | 3p | 32.749168 | -.00008224 |
| 8 | 3p | 1.021790 | .00005720 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .482926 | < R2 > | .291155 | < 1/R > | 2.708380 | < 1/R**2 > | 10.298028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195301 | .36022403 |
| 2 | 2s | 5.445982 | -.77637248 |
| 3 | 3s | 4.880098 | -.17106955 |
| 4 | 5s | 24.141097 | .00152656 |
| 5 | 2s | 6.753426 | -.17542602 |
| 6 | 3s | 15.562370 | .00745501 |
| 7 | 4s | 3.770892 | -.00388268 |
| 8 | 4s | 28.490847 | .00132886 |
| 9 | 5s | 1.878028 | -.00005550 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514731 | < R2 > | .314622 | < 1/R > | 2.836480 | < 1/R**2 > | 33.158900 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560847 | 1.01529201 |
| 2 | 2s | 19.685487 | -.02550258 |
| 3 | 3s | 11.157280 | .01966707 |
| 4 | 4s | 50.957859 | -.00002060 |
| 5 | 4s | 29.799859 | .00126852 |
| 6 | 2s | 59.820697 | .00003391 |
| 7 | 5s | 13.214945 | -.00537266 |
| 8 | 3s | 6.721030 | .00075549 |
| 9 | 4s | 1.691497 | -.00000325 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574425 | < 1/R**2 > | 428.645673 |
Total Energy= -339.73624220 a.u.
Kinetic Energy= 339.73840986 a.u.
Potential Energy= -679.47465207 a.u.
Virial Ratio = -1.99999362