(1s 2 2s 2 2p 3 3p 1 ) 5 P Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 3p- electron | |
| 1 | 2p | 1.765196 | 1.04898842 |
| 2 | 3p | 1.831963 | -1.68405560 |
| 3 | 2p | 6.216520 | .10613264 |
| 4 | 4p | 3.511819 | -.13203873 |
| 5 | 5p | 9.119420 | .00885721 |
| 6 | 5p | 1.727154 | -.18088988 |
| 7 | 4p | 20.448566 | -.00079805 |
| 8 | 4p | 1.528599 | .06109890 |
| 9 | 5p | 61.421668 | -.00002405 |
| ORB.ENERGY,a.u. | -1.224100 | ||
| NORM | 1.000000 | < R > | 2.262715 | < R2 > | 5.847989 | < 1/R > | .586449 | < 1/R**2 > | .740612 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.804719 | 1.45388276 |
| 2 | 3p | 5.030836 | -.57819862 |
| 3 | 4p | 6.349943 | .11532634 |
| 4 | 4p | 16.494516 | -.00335380 |
| 5 | 5p | 3.064905 | .02316079 |
| 6 | 3p | 20.476632 | -.00072638 |
| 7 | 5p | 2.611246 | -.00950038 |
| 8 | 3p | 1.509248 | .00318329 |
| ORB.ENERGY,a.u. | -4.506400 | ||
| NORM | 1.000000 | < R > | .647172 | < R2 > | .516544 | < 1/R > | 1.995363 | < 1/R**2 > | 5.522769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.982977 | .35082194 |
| 2 | 2s | 4.338072 | -.84305356 |
| 3 | 3s | 3.821025 | -.28693055 |
| 4 | 4s | 17.811665 | .00249287 |
| 5 | 3s | 10.663475 | .01889468 |
| 6 | 5s | 3.312613 | -.00507036 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .705843 | < R2 > | .589471 | < 1/R > | 2.054436 | < 1/R**2 > | 17.264210 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.164303 | .90297886 |
| 2 | 1s | 15.522683 | .09697334 |
| 3 | 2s | 8.907139 | .01721699 |
| 4 | 3s | 12.708272 | -.01502936 |
| 5 | 4s | 20.235770 | .00391593 |
| 6 | 5s | 40.057950 | .00009085 |
| 7 | 5s | 7.629956 | .00086630 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142479 | < R2 > | .027294 | < 1/R > | 10.624075 | < 1/R**2 > | 228.073951 |
Total Energy= -155.05137275 a.u.
Kinetic Energy= 155.07910511 a.u.
Potential Energy= -310.13047786 a.u.
Virial Ratio = -1.99982117