(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 D S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.308765 | .40611912 |
| 2 | 4d | .662593 | -3.24519808 |
| 3 | 5d | .663623 | 3.52041499 |
| 4 | 3d | 2.902399 | .12494573 |
| 5 | 4d | 3.945755 | -.03904387 |
| 6 | 5d | 12.339507 | .00061912 |
| 7 | 3d | 9.713955 | .00116340 |
| 8 | 3d | .275621 | .00266017 |
| ORB.ENERGY,a.u. | -.209330 | ||
| NORM | 1.000005 | < R > | 9.801041 | < R2 > | 108.928700 | < 1/R > | .144792 | < 1/R**2 > | .050976 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.599562 | .32729605 |
| 2 | 2p | 1.569295 | -.48822811 |
| 3 | 3p | 2.208676 | -.61499959 |
| 4 | 2p | 8.963074 | .09316164 |
| 5 | 3p | 14.216456 | -.00350358 |
| 6 | 4p | 1.188606 | .01464924 |
| 7 | 5p | 1.159755 | -.00596242 |
| 8 | 4p | 32.093341 | -.00013741 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.679424 | < R2 > | 3.247883 | < 1/R > | .792039 | < 1/R**2 > | 1.383602 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.233401 | -.39200482 |
| 2 | 1s | 11.337972 | .20583432 |
| 3 | 1s | 48.117635 | .00018384 |
| 4 | 2s | 5.142010 | -.16126274 |
| 5 | 3s | 2.471890 | 1.01191827 |
| 6 | 4s | 4.393816 | .09732828 |
| 7 | 3s | 32.058212 | -.00064100 |
| 8 | 5s | 2.351982 | .07756565 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.543067 | < R2 > | 2.714968 | < 1/R > | .876617 | < 1/R**2 > | 4.450771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.440032 | .00331413 |
| 2 | 2p | 8.913468 | .44651513 |
| 3 | 3p | 6.902564 | .50698620 |
| 4 | 5p | 3.909531 | .00490010 |
| 5 | 4p | 5.530844 | .14860056 |
| 6 | 5p | 30.468607 | -.00020685 |
| 7 | 4p | 34.303481 | -.00017365 |
| 8 | 3p | 1.464474 | .00010858 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440016 | < R2 > | .240759 | < 1/R > | 2.959526 | < 1/R**2 > | 12.238754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010351 | .36728220 |
| 2 | 2s | 6.305166 | -.76623486 |
| 3 | 3s | 5.327028 | -.16179597 |
| 4 | 4s | 23.812946 | .00247710 |
| 5 | 2s | 5.337350 | -.19451479 |
| 6 | 3s | 17.750110 | .00546644 |
| 7 | 4s | 3.666229 | -.00173893 |
| 8 | 5s | 46.165932 | .00011165 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474363 | < R2 > | .266717 | < 1/R > | 3.081714 | < 1/R**2 > | 39.096323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554941 | 1.01449917 |
| 2 | 2s | 20.544672 | -.02542225 |
| 3 | 3s | 12.090644 | .02045420 |
| 4 | 4s | 16.254333 | -.00018767 |
| 5 | 4s | 31.380327 | .00163460 |
| 6 | 2s | 67.124018 | .00001829 |
| 7 | 5s | 14.507958 | -.00547398 |
| 8 | 3s | 6.587990 | .00045280 |
| 9 | 4s | 3.575695 | -.00001331 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012681 | < 1/R > | 15.568096 | < 1/R**2 > | 488.886056 |
Total Energy= -395.28266326 a.u.
Kinetic Energy= 395.28664570 a.u.
Potential Energy= -790.56930896 a.u.
Virial Ratio = -1.99998993