(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 F P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | .534161 | .45148090 |
| 2 | 4d | .277899 | -1.21845897 |
| 3 | 3d | 1.321974 | .29163794 |
| 4 | 4d | 1.620606 | -.13949510 |
| 5 | 5d | 3.064460 | -.00885763 |
| 6 | 5d | .480786 | .22308818 |
| 7 | 3d | 5.857930 | .00315434 |
| ORB.ENERGY,a.u. | -.164410 | ||
| NORM | 1.000002 | < R > | 16.472638 | < R2 > | 320.210147 | < 1/R > | .094309 | < 1/R**2 > | .021098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.102097 | .26209497 |
| 2 | 2p | 1.079228 | -.86498524 |
| 3 | 3p | 1.984831 | -.29282820 |
| 4 | 2p | 8.118215 | .08508008 |
| 5 | 4p | 1.216376 | .10591201 |
| 6 | 3p | 12.301740 | -.00451284 |
| 7 | 4p | 29.728856 | -.00015299 |
| 8 | 5p | .378438 | .00111733 |
| 9 | 5p | 97.396475 | -.00000145 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.144540 | < R2 > | 5.369610 | < 1/R > | .615322 | < 1/R**2 > | .834893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.362852 | -.17687994 |
| 2 | 1s | 10.701790 | .17020888 |
| 3 | 1s | 41.137272 | .00023293 |
| 4 | 2s | 4.742658 | -.24282415 |
| 5 | 3s | 1.911258 | .83906152 |
| 6 | 4s | 3.416723 | .19472313 |
| 7 | 3s | 29.388137 | -.00057360 |
| 8 | 5s | 1.706973 | .06574073 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.851103 | < R2 > | 3.951121 | < 1/R > | .723965 | < 1/R**2 > | 2.961207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372194 | .42817416 |
| 2 | 3p | 6.500493 | .49494263 |
| 3 | 2p | 20.149664 | .00249404 |
| 4 | 4p | 5.240690 | .18066872 |
| 5 | 5p | 4.036370 | .01285028 |
| 6 | 3p | 38.305528 | .00006602 |
| 7 | 4p | 79.770193 | -.00000235 |
| 8 | 3p | 1.600889 | .00090829 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483326 | < R2 > | .291724 | < 1/R > | 2.706732 | < 1/R**2 > | 10.287304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194741 | .35988373 |
| 2 | 2s | 5.437945 | -.77666456 |
| 3 | 3s | 4.857215 | -.17145684 |
| 4 | 4s | 23.652105 | .00226725 |
| 5 | 2s | 6.760127 | -.17609735 |
| 6 | 3s | 15.378505 | .00817034 |
| 7 | 5s | 4.028967 | -.00308639 |
| 8 | 4s | 1.904315 | -.00025177 |
| 9 | 5s | 48.686821 | .00005201 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515301 | < R2 > | .315420 | < 1/R > | 2.833557 | < 1/R**2 > | 33.096462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.437696 | -.00021823 |
| 2 | 1s | 14.570410 | 1.01426022 |
| 3 | 2s | 21.105503 | -.02188157 |
| 4 | 3s | 11.321573 | .01689845 |
| 5 | 4s | 20.115952 | -.00094948 |
| 6 | 5s | 17.687767 | .00342786 |
| 7 | 5s | 62.408979 | -.00003187 |
| 8 | 4s | 12.074412 | -.00660216 |
| 9 | 2s | 54.219777 | .00013079 |
| 10 | 3s | 7.509011 | .00141331 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573892 | < 1/R**2 > | 428.621680 |
Total Energy= -340.38199649 a.u.
Kinetic Energy= 340.38723783 a.u.
Potential Energy= -680.76923433 a.u.
Virial Ratio = -1.99998460