(1s 2 2s 2 2p 1 5d 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | .219620 | 2.51525231 |
| 2 | 4d | .190102 | -9.17808549 |
| 3 | 5d | .197375 | 7.58401750 |
| 4 | 3d | 1.384057 | .00665423 |
| 5 | 4d | 3.812412 | .00143309 |
| 6 | 5d | 5.217818 | -.00071959 |
| 7 | 5d | .174388 | -.07794071 |
| ORB.ENERGY,a.u. | -.019923 | ||
| NORM | 1.000015 | < R > | 34.580329 | < R2 > | 1357.888417 | < 1/R > | .040253 | < 1/R**2 > | .003339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.589616 | .80619055 |
| 2 | 2p | 2.551531 | .23531057 |
| 3 | 2p | 6.529471 | .01062110 |
| 4 | 3p | 2.721518 | -.05086906 |
| 5 | 4p | 1.505225 | .04397196 |
| 6 | 4p | 10.426806 | -.00061493 |
| ORB.ENERGY,a.u. | -.821770 | ||
| NORM | 1.000000 | < R > | 1.471963 | < R2 > | 2.686864 | < 1/R > | .885362 | < 1/R**2 > | 1.103650 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579962 | .24033038 |
| 2 | 2s | 1.552707 | -.76079834 |
| 3 | 3s | 2.862488 | -.27240584 |
| 4 | 4s | 11.701489 | .00197518 |
| 5 | 5s | 5.912254 | -.02893381 |
| 6 | 5s | 1.867025 | .02769715 |
| 7 | 2s | 38.888492 | -.00000311 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475638 | < R2 > | 2.589858 | < 1/R > | .961108 | < 1/R**2 > | 3.715847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212900 | .71609935 |
| 2 | 1s | 8.200762 | .22615052 |
| 3 | 1s | 2.380203 | .00351146 |
| 4 | 2s | 6.450800 | .08054061 |
| 5 | 3s | 6.779610 | -.01402168 |
| 6 | 4s | 10.925483 | .00565169 |
| 7 | 5s | 42.337482 | -.00002669 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096880 | < 1/R > | 5.668481 | < 1/R**2 > | 65.302410 |
Total Energy= -37.31263575 a.u.
Kinetic Energy= 37.31214712 a.u.
Potential Energy= -74.62478287 a.u.
Virial Ratio = -2.00001310