(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 D S +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 5p | 2.038800 | -.09147250 |
| 2 | 4p | 13.622240 | .00088200 |
| 3 | 4p | .811170 | .97245031 |
| 4 | 5p | .552965 | -1.36005449 |
| 5 | 3p | 2.334330 | -.13098969 |
| 6 | 2p | 10.456555 | .00678460 |
| 7 | 2p | 5.047251 | .03858835 |
| ORB.ENERGY,a.u. | -.290430 | ||
| NORM | 1.000000 | < R > | 10.750935 | < R2 > | 129.081607 | < 1/R > | .117605 | < 1/R**2 > | .035969 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.495423 | .33215485 |
| 2 | 2p | 1.510863 | -.74702103 |
| 3 | 3p | 2.126441 | -.36139943 |
| 4 | 2p | 8.887114 | .09083747 |
| 5 | 4p | .829872 | .04623384 |
| 6 | 3p | 13.853825 | -.00372421 |
| 7 | 4p | 32.043088 | -.00014035 |
| 8 | 3p | .419465 | -.04926006 |
| 9 | 5p | .295528 | .00077879 |
| ORB.ENERGY,a.u. | -.994800 | ||
| NORM | 1.000000 | < R > | 1.764327 | < R2 > | 3.650384 | < 1/R > | .752837 | < 1/R**2 > | 1.248179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.794413 | -.12192295 |
| 2 | 1s | 11.287025 | .21115720 |
| 3 | 1s | 51.512461 | .00014134 |
| 4 | 2s | 5.237561 | -.38985971 |
| 5 | 3s | 2.262635 | .89862345 |
| 6 | 4s | 3.863165 | .15409660 |
| 7 | 5s | 2.094017 | .05505430 |
| 8 | 3s | 32.590436 | -.00062958 |
| ORB.ENERGY,a.u. | -1.548400 | ||
| NORM | 1.000000 | < R > | 1.598657 | < R2 > | 2.927911 | < 1/R > | .844591 | < 1/R**2 > | 4.110101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.080719 | .42994735 |
| 2 | 3p | 7.049650 | .50738155 |
| 3 | 4p | 5.663545 | .16634161 |
| 4 | 5p | 4.166254 | .00817234 |
| 5 | 2p | 26.896079 | .00119031 |
| 6 | 3p | 27.538692 | .00066084 |
| 7 | 4p | 1.884260 | .00039365 |
| 8 | 5p | 47.180174 | -.00002698 |
| ORB.ENERGY,a.u. | -7.085200 | ||
| NORM | 1.000000 | < R > | .440605 | < R2 > | .241515 | < 1/R > | 2.956592 | < 1/R**2 > | 12.217916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.999710 | .36723123 |
| 2 | 2s | 6.340750 | -.76536969 |
| 3 | 3s | 5.384172 | -.16480540 |
| 4 | 4s | 25.532305 | .00217621 |
| 5 | 2s | 5.215266 | -.19276671 |
| 6 | 3s | 16.719032 | .00652246 |
| 7 | 4s | 3.704421 | -.00345544 |
| 8 | 5s | 54.188507 | .00003558 |
| ORB.ENERGY,a.u. | -9.396800 | ||
| NORM | 1.000000 | < R > | .475068 | < R2 > | .267619 | < 1/R > | 3.077439 | < 1/R**2 > | 38.997549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554461 | 1.01449686 |
| 2 | 2s | 21.755538 | -.02193130 |
| 3 | 3s | 10.718405 | .02053857 |
| 4 | 4s | 64.108804 | -.00032702 |
| 5 | 4s | 11.376535 | .00171287 |
| 6 | 5s | 84.436745 | .00010254 |
| 7 | 5s | 13.172332 | -.00939041 |
| 8 | 2s | 190.955497 | .00000087 |
| 9 | 3s | 1.930717 | -.00011782 |
| 10 | 2s | 1.510527 | .00012011 |
| 11 | 3s | 166.847362 | -.00000060 |
| ORB.ENERGY,a.u. | -91.855000 |
| NORM | 1.000000 | < R > | .097143 | < R2 > | .012684 | < 1/R > | 15.567235 | < 1/R**2 > | 488.844298 |
Total Energy= -396.46982566 a.u.
Kinetic Energy= 396.46831900 a.u.
Potential Energy= -792.93814466 a.u.
Virial Ratio = -2.00000380