(1s 2 2s 2 2p 1 5d 1 ) 1 P C 0
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 | .243702 | 1.91700402 |
| 2 | 4d | .191294 | -7.31835494 |
| 3 | 5d | .195771 | 6.33382834 |
| 4 | 3d | 2.083246 | .00125521 |
| 5 | 5d | .556389 | -.03746931 |
| 6 | 4d | 1.335774 | -.00287719 |
| 7 | 4d | .750601 | -.02217820 |
| 8 | 5d | .159606 | -.05044803 |
| ORB.ENERGY,a.u. | -.019759 | ||
| NORM | .999989 | < R > | 34.942564 | < R2 > | 1384.551210 | < 1/R > | .039396 | < 1/R**2 > | .003079 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.585916 | .79863683 |
| 2 | 2p | 2.534379 | .24280659 |
| 3 | 2p | 6.502928 | .01076928 |
| 4 | 3p | 2.732766 | -.05091817 |
| 5 | 4p | 1.522599 | .04359778 |
| 6 | 4p | 10.480318 | -.00063751 |
| ORB.ENERGY,a.u. | -.821610 | ||
| NORM | 1.000000 | < R > | 1.471272 | < R2 > | 2.683641 | < 1/R > | .885615 | < 1/R**2 > | 1.104141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579979 | .24032681 |
| 2 | 2s | 1.552623 | -.76084617 |
| 3 | 3s | 2.862624 | -.27240344 |
| 4 | 4s | 11.699473 | .00197681 |
| 5 | 5s | 5.912208 | -.02891951 |
| 6 | 5s | 1.866212 | .02775614 |
| 7 | 2s | 38.818606 | -.00000313 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475635 | < R2 > | 2.589821 | < 1/R > | .961102 | < 1/R**2 > | 3.715781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212972 | .71611432 |
| 2 | 1s | 8.200590 | .22614179 |
| 3 | 1s | 2.380145 | .00351317 |
| 4 | 2s | 6.450424 | .08052944 |
| 5 | 3s | 6.779878 | -.01401963 |
| 6 | 4s | 10.925961 | .00565256 |
| 7 | 5s | 42.347532 | -.00002665 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096881 | < 1/R > | 5.668475 | < 1/R**2 > | 65.302315 |
Total Energy= -37.31258636 a.u.
Kinetic Energy= 37.31198252 a.u.
Potential Energy= -74.62456889 a.u.
Virial Ratio = -2.00001618