(1s 2 2s 2 2p 6 3s 1 5p 1 ) 3 P P 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 2p | 4.858774 | .14354656 |
| 2 | 2p | 13.285553 | .00481364 |
| 3 | 3p | 1.750560 | -.98934774 |
| 4 | 5p | 1.217947 | 1.74252276 |
| 5 | 4p | .872575 | -4.40923928 |
| 6 | 3p | .888898 | 2.95182577 |
| 7 | 4p | 8.008616 | -.02472823 |
| 8 | 5p | .451110 | .00110521 |
| ORB.ENERGY,a.u. | -.418750 | ||
| NORM | .999997 | < R > | 6.973254 | < R2 > | 54.565628 | < 1/R > | .200783 | < 1/R**2 > | .154037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.344221 | -.10750125 |
| 2 | 1s | 12.032403 | .00994324 |
| 3 | 1s | 12.129436 | .11789115 |
| 4 | 2s | 5.139998 | -.38275051 |
| 5 | 3s | 2.169583 | .80788422 |
| 6 | 4s | 3.127871 | .35059899 |
| 7 | 5s | 15.164268 | -.00658778 |
| 8 | 4s | 31.627171 | .00025309 |
| ORB.ENERGY,a.u. | -1.830200 | ||
| NORM | 1.000000 | < R > | 1.620817 | < R2 > | 2.978955 | < 1/R > | .835579 | < 1/R**2 > | 4.072207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.131730 | .45655832 |
| 2 | 3p | 6.265179 | .49830688 |
| 3 | 4p | 5.016175 | .15177125 |
| 4 | 5p | 3.504467 | .00539122 |
| 5 | 2p | 17.837212 | .00427520 |
| 6 | 5p | 35.980817 | -.00014608 |
| 7 | 3p | 2.692729 | -.00469885 |
| 8 | 3p | 80.981405 | .00000225 |
| ORB.ENERGY,a.u. | -6.644900 | ||
| NORM | 1.000000 | < R > | .480579 | < R2 > | .287744 | < 1/R > | 2.717543 | < 1/R**2 > | 10.356485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.217227 | .35960086 |
| 2 | 2s | 6.046169 | -.82169660 |
| 3 | 3s | 5.185697 | -.29964274 |
| 4 | 4s | 21.058917 | .00285524 |
| 5 | 3s | 16.735102 | .00642122 |
| 6 | 2s | 3.025878 | -.01393646 |
| 7 | 5s | 40.882605 | .00017940 |
| 8 | 4s | 1.692861 | -.00013643 |
| ORB.ENERGY,a.u. | -8.831700 | ||
| NORM | 1.000000 | < R > | .514165 | < R2 > | .313833 | < 1/R > | 2.839287 | < 1/R**2 > | 33.217639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570385 | 1.01434329 |
| 2 | 2s | 20.440068 | -.02221412 |
| 3 | 3s | 10.620010 | .01922481 |
| 4 | 4s | 58.155224 | -.00049794 |
| 5 | 4s | 10.114392 | .00281993 |
| 6 | 5s | 73.940631 | .00017603 |
| 7 | 5s | 12.489141 | -.00815901 |
| 8 | 2s | 2.475662 | -.00014320 |
| 9 | 2s | 3.073996 | .00026054 |
| 10 | 3s | 116.380479 | -.00001043 |
| ORB.ENERGY,a.u. | -80.779000 |
| NORM | 1.000000 | < R > | .103787 | < R2 > | .014483 | < 1/R > | 14.575141 | < 1/R**2 > | 428.680053 |
Total Energy= -337.15405425 a.u.
Kinetic Energy= 337.15596457 a.u.
Potential Energy= -674.31001882 a.u.
Virial Ratio = -1.99999433