(1s 2 2s 2 2p 2 4p 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 7.379642 | .24067256 |
| 2 | 3p | 2.449586 | -.58969718 |
| 3 | 5p | 2.832451 | 1.53294373 |
| 4 | 4p | 4.121223 | -.65230438 |
| 5 | 5p | 9.094330 | .04111557 |
| 6 | 4p | 21.097760 | -.00220137 |
| 7 | 5p | 2.418570 | .11667149 |
| 8 | 5p | 46.804645 | -.00027649 |
| 9 | 4p | 72.451393 | -.00005244 |
| ORB.ENERGY,a.u. | -3.384200 | ||
| NORM | 1.000000 | < R > | 2.127607 | < R2 > | 5.112925 | < 1/R > | .646993 | < 1/R**2 > | 1.089521 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.559321 | 1.20553871 |
| 2 | 3p | 8.484343 | -.24006310 |
| 3 | 4p | 10.157862 | .03584408 |
| 4 | 5p | 3.126552 | .07107236 |
| 5 | 4p | 2.877602 | -.11408883 |
| 6 | 3p | 2.279356 | .05720864 |
| 7 | 5p | 37.939050 | -.00019007 |
| 8 | 3p | 17.390028 | -.00502192 |
| ORB.ENERGY,a.u. | -17.846000 | ||
| NORM | 1.000000 | < R > | .376853 | < R2 > | .173371 | < 1/R > | 3.363980 | < 1/R**2 > | 15.348442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.595703 | .42303638 |
| 2 | 2s | 6.991270 | -.86273990 |
| 3 | 3s | 7.152732 | -.28376662 |
| 4 | 4s | 27.267137 | .00208376 |
| 5 | 3s | 14.447959 | .01975689 |
| 6 | 5s | 7.229100 | -.02764371 |
| 7 | 4s | 2.087474 | .00013576 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433650 | < R2 > | .220403 | < 1/R > | 3.381466 | < 1/R**2 > | 46.405032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111197 | .92674392 |
| 2 | 1s | 23.114252 | .07200136 |
| 3 | 2s | 14.081790 | .01950077 |
| 4 | 3s | 17.757140 | -.01558699 |
| 5 | 5s | 37.616384 | .00090262 |
| 6 | 4s | 89.383760 | -.00003591 |
| 7 | 5s | 12.095810 | .00034256 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096571 | < R2 > | .012501 | < 1/R > | 15.625385 | < 1/R**2 > | 491.672225 |
Total Energy= -338.35892805 a.u.
Kinetic Energy= 338.31032118 a.u.
Potential Energy= -676.66924924 a.u.
Virial Ratio = -2.00014368