(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 P S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 1.095269 | .70435368 |
| 2 | 4d | .779823 | -1.51655043 |
| 3 | 3d | 1.686562 | .40930748 |
| 4 | 4d | 2.099756 | -.24283846 |
| 5 | 5d | 1.954903 | -.03760920 |
| 6 | 5d | 1.112818 | .24010316 |
| 7 | 3d | 6.586594 | .01276276 |
| 8 | 4d | 4.422023 | .02865375 |
| 9 | 5d | 59.720442 | .00000243 |
| ORB.ENERGY,a.u. | -.303950 | ||
| NORM | 1.000000 | < R > | 6.179606 | < R2 > | 44.800590 | < 1/R > | .236724 | < 1/R**2 > | .111561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 9.006546 | .09097775 |
| 2 | 3p | 14.584113 | -.00317532 |
| 3 | 4p | 1.267087 | .03561845 |
| 4 | 5p | 1.236782 | -.01367922 |
| 5 | 4p | 31.977527 | -.00011968 |
| 6 | 2p | 4.594220 | .33247075 |
| 7 | 2p | 1.510694 | -.58891441 |
| 8 | 3p | 2.236618 | -.52653719 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.693044 | < R2 > | 3.306987 | < 1/R > | .786700 | < 1/R**2 > | 1.368050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.099656 | -.27979613 |
| 2 | 1s | 11.638669 | .17887776 |
| 3 | 1s | 58.670205 | .00009076 |
| 4 | 2s | 5.618111 | -.22145907 |
| 5 | 3s | 2.295082 | .94632014 |
| 6 | 4s | 3.971082 | .19364123 |
| 7 | 3s | 34.189491 | -.00059934 |
| 8 | 5s | 1.789299 | .02456995 |
| 9 | 4s | 1.504162 | -.01872834 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.548626 | < R2 > | 2.735870 | < 1/R > | .873315 | < 1/R**2 > | 4.415225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.453002 | .00329682 |
| 2 | 2p | 8.914820 | .44640376 |
| 3 | 3p | 6.902666 | .50712288 |
| 4 | 5p | 3.861299 | .00507899 |
| 5 | 4p | 5.528470 | .14865085 |
| 6 | 5p | 30.500960 | -.00021195 |
| 7 | 4p | 34.355579 | -.00017307 |
| 8 | 3p | 1.234656 | .00013503 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440088 | < R2 > | .240872 | < 1/R > | 2.959299 | < 1/R**2 > | 12.237501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010294 | .36727569 |
| 2 | 2s | 6.305218 | -.76623135 |
| 3 | 3s | 5.325441 | -.16181745 |
| 4 | 4s | 23.770721 | .00247796 |
| 5 | 2s | 5.337822 | -.19451390 |
| 6 | 3s | 17.779134 | .00546642 |
| 7 | 4s | 3.637000 | -.00177728 |
| 8 | 5s | 46.011283 | .00011176 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474385 | < R2 > | .266749 | < 1/R > | 3.081623 | < 1/R**2 > | 39.094439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554974 | 1.01449858 |
| 2 | 2s | 20.543943 | -.02542161 |
| 3 | 3s | 12.091610 | .02045216 |
| 4 | 4s | 16.241288 | -.00018787 |
| 5 | 4s | 31.379178 | .00163464 |
| 6 | 2s | 67.342037 | .00001813 |
| 7 | 5s | 14.509881 | -.00547295 |
| 8 | 3s | 6.587099 | .00045301 |
| 9 | 4s | 3.580732 | -.00001302 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097134 | < R2 > | .012681 | < 1/R > | 15.568140 | < 1/R**2 > | 488.888263 |
Total Energy= -395.41205662 a.u.
Kinetic Energy= 395.38141100 a.u.
Potential Energy= -790.79346762 a.u.
Virial Ratio = -2.00007751