(1s 2 2s 2 2p 1 5d 1 ) 1 D S 10+
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 | 2.924679 | 1.34441342 |
| 2 | 4d | 2.354978 | -4.23392108 |
| 3 | 5d | 2.202458 | 3.58522770 |
| 4 | 3d | 6.419246 | .04123825 |
| 5 | 5d | 1.505138 | -.01564296 |
| 6 | 5d | 9.448006 | -.00496554 |
| 7 | 4d | 38.438553 | .00003567 |
| 8 | 4d | 1.093110 | .00458820 |
| 9 | 3d | 74.035818 | .00000127 |
| ORB.ENERGY,a.u. | -2.484100 | ||
| NORM | 1.000002 | < R > | 3.050209 | < R2 > | 10.558097 | < 1/R > | .455866 | < 1/R**2 > | .429700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.681080 | 1.07254938 |
| 2 | 3p | 8.064614 | -.08825160 |
| 3 | 2p | 16.502855 | .01227922 |
| 4 | 5p | 21.912143 | .00166471 |
| 5 | 4p | 24.822290 | -.00044600 |
| 6 | 5p | 7.798233 | .00710602 |
| 7 | 5p | 63.389046 | -.00000668 |
| 8 | 4p | 1.242258 | .00007559 |
| ORB.ENERGY,a.u. | -20.290000 | ||
| NORM | 1.000000 | < R > | .367613 | < R2 > | .163467 | < 1/R > | 3.435834 | < 1/R**2 > | 15.960256 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754325 | .37955164 |
| 2 | 2s | 6.121507 | -.81193984 |
| 3 | 3s | 8.798674 | -.28441585 |
| 4 | 4s | 29.891062 | .00122981 |
| 5 | 5s | 17.234884 | -.00995012 |
| 6 | 5s | 6.817678 | .01779248 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424167 | < R2 > | .210459 | < 1/R > | 3.462188 | < 1/R**2 > | 48.460637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.174766 | .93539559 |
| 2 | 1s | 23.761444 | .06237339 |
| 3 | 2s | 14.024143 | .02466213 |
| 4 | 3s | 22.738559 | -.00921906 |
| 5 | 4s | 18.762738 | -.01198245 |
| 6 | 5s | 41.718482 | .00075445 |
| 7 | 3s | 75.494208 | -.00002898 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012435 | < 1/R > | 15.647508 | < 1/R**2 > | 492.758188 |
Total Energy= -318.85494692 a.u.
Kinetic Energy= 318.86773468 a.u.
Potential Energy= -637.72268160 a.u.
Virial Ratio = -1.99995990