(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 F S 2+
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 | 1.269827 | .39652400 |
| 2 | 4d | .662636 | -3.15015617 |
| 3 | 5d | .658172 | 3.41566708 |
| 4 | 3d | 2.858503 | .12946819 |
| 5 | 4d | 3.955124 | -.04033840 |
| 6 | 5d | 12.806458 | .00069737 |
| 7 | 3d | 10.612247 | .00080174 |
| ORB.ENERGY,a.u. | -.207420 | ||
| NORM | 1.000000 | < R > | 9.903674 | < R2 > | 110.958192 | < 1/R > | .141280 | < 1/R**2 > | .047527 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.588397 | .32967898 |
| 2 | 2p | 1.608469 | -.47666928 |
| 3 | 3p | 2.194286 | -.62485409 |
| 4 | 2p | 8.943118 | .09417132 |
| 5 | 3p | 14.059951 | -.00365401 |
| 6 | 4p | .865253 | .01374276 |
| 7 | 5p | .945765 | -.01093190 |
| 8 | 4p | 32.078693 | -.00014619 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.676413 | < R2 > | 3.235451 | < 1/R > | .793485 | < 1/R**2 > | 1.388609 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.232857 | -.39210415 |
| 2 | 1s | 11.337949 | .20586013 |
| 3 | 1s | 48.124177 | .00018384 |
| 4 | 2s | 5.142824 | -.16127635 |
| 5 | 3s | 2.472240 | 1.01200489 |
| 6 | 4s | 4.392472 | .09732160 |
| 7 | 3s | 32.055206 | -.00064153 |
| 8 | 5s | 2.353094 | .07750715 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.542847 | < R2 > | 2.714140 | < 1/R > | .876749 | < 1/R**2 > | 4.452214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.441236 | .00331393 |
| 2 | 2p | 8.913417 | .44651909 |
| 3 | 3p | 6.902554 | .50698083 |
| 4 | 5p | 3.912306 | .00488938 |
| 5 | 4p | 5.530999 | .14859831 |
| 6 | 5p | 30.453934 | -.00020652 |
| 7 | 4p | 34.294122 | -.00017372 |
| 8 | 3p | 1.495329 | .00010868 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440013 | < R2 > | .240753 | < 1/R > | 2.959531 | < 1/R**2 > | 12.238767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010311 | .36728277 |
| 2 | 2s | 6.305161 | -.76623575 |
| 3 | 3s | 5.327010 | -.16179646 |
| 4 | 4s | 23.810151 | .00247708 |
| 5 | 2s | 5.337347 | -.19451513 |
| 6 | 3s | 17.747859 | .00546679 |
| 7 | 4s | 3.668772 | -.00173735 |
| 8 | 5s | 46.128684 | .00011216 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474364 | < R2 > | .266718 | < 1/R > | 3.081707 | < 1/R**2 > | 39.096128 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554935 | 1.01449934 |
| 2 | 2s | 20.544797 | -.02542245 |
| 3 | 3s | 12.090503 | .02045451 |
| 4 | 4s | 16.257263 | -.00018764 |
| 5 | 4s | 31.380525 | .00163460 |
| 6 | 2s | 67.072596 | .00001833 |
| 7 | 5s | 14.507634 | -.00547414 |
| 8 | 3s | 6.588254 | .00045276 |
| 9 | 4s | 3.574737 | -.00001336 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012681 | < 1/R > | 15.568089 | < 1/R**2 > | 488.885703 |
Total Energy= -395.28298946 a.u.
Kinetic Energy= 395.28472981 a.u.
Potential Energy= -790.56771928 a.u.
Virial Ratio = -1.99999560