(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 D P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 2.172765 | -.04801523 |
| 2 | 3p | 1.685826 | -.17262435 |
| 3 | 5p | .876577 | .22289903 |
| 4 | 4p | .504792 | .73834576 |
| 5 | 2p | 4.646972 | .10945984 |
| 6 | 3p | 6.417866 | -.03847049 |
| 7 | 4p | 17.000447 | -.00080109 |
| 8 | 3p | .333612 | .07788589 |
| 9 | 5p | 47.091748 | -.00005269 |
| ORB.ENERGY,a.u. | -.210240 | ||
| NORM | 1.000000 | < R > | 8.406268 | < R2 > | 79.699540 | < 1/R > | .144445 | < 1/R**2 > | .048593 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.109820 | .26230715 |
| 2 | 2p | 1.022991 | -.96046461 |
| 3 | 3p | 2.012191 | -.28528380 |
| 4 | 2p | 8.138531 | .08479766 |
| 5 | 4p | 1.217082 | .21183313 |
| 6 | 3p | 12.464205 | -.00430509 |
| 7 | 4p | 29.911338 | -.00013876 |
| 8 | 5p | .499367 | -.00120066 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.135265 | < R2 > | 5.321431 | < 1/R > | .618008 | < 1/R**2 > | .842315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 4.737293 | -.24399772 |
| 2 | 3s | 1.911661 | .84256892 |
| 3 | 4s | 3.418126 | .19265082 |
| 4 | 3s | 29.093968 | -.00056656 |
| 5 | 5s | 1.709400 | .06345048 |
| 6 | 1s | 4.387334 | -.17664610 |
| 7 | 1s | 10.689515 | .17077338 |
| 8 | 1s | 39.946916 | .00025838 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.849725 | < R2 > | 3.943739 | < 1/R > | .724319 | < 1/R**2 > | 2.963579 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372919 | .42804969 |
| 2 | 3p | 6.500504 | .49505523 |
| 3 | 2p | 20.145939 | .00249423 |
| 4 | 4p | 5.239792 | .18072254 |
| 5 | 5p | 4.029162 | .01288707 |
| 6 | 3p | 38.671574 | .00006409 |
| 7 | 4p | 84.103242 | -.00000233 |
| 8 | 3p | 1.604973 | .00089541 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483381 | < R2 > | .291802 | < 1/R > | 2.706509 | < 1/R**2 > | 10.285859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194214 | .35988132 |
| 2 | 2s | 5.437831 | -.77667476 |
| 3 | 3s | 4.855961 | -.17148143 |
| 4 | 4s | 23.601340 | .00226235 |
| 5 | 2s | 6.760399 | -.17609604 |
| 6 | 3s | 15.372525 | .00817393 |
| 7 | 5s | 4.027476 | -.00310074 |
| 8 | 4s | 1.929514 | -.00024745 |
| 9 | 5s | 47.274469 | .00005736 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515339 | < R2 > | .315472 | < 1/R > | 2.833361 | < 1/R**2 > | 33.092285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.387516 | -.00021298 |
| 2 | 1s | 14.570410 | 1.01425748 |
| 3 | 2s | 21.105330 | -.02188123 |
| 4 | 3s | 11.321512 | .01689845 |
| 5 | 4s | 20.107589 | -.00094978 |
| 6 | 5s | 17.685440 | .00342849 |
| 7 | 5s | 62.519470 | -.00003186 |
| 8 | 4s | 12.074794 | -.00660194 |
| 9 | 2s | 54.223117 | .00013068 |
| 10 | 3s | 7.510270 | .00141275 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573847 | < 1/R**2 > | 428.619646 |
Total Energy= -340.42943717 a.u.
Kinetic Energy= 340.43303885 a.u.
Potential Energy= -680.86247602 a.u.
Virial Ratio = -1.99998942