(1s 2 2s 2 2p 5 5p 1 ) 3 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 3p | .955464 | -.56941881 |
| 2 | 4p | .545270 | 1.81586056 |
| 3 | 5p | .472204 | -2.21915238 |
| 4 | 2p | 6.026059 | .02427036 |
| 5 | 5p | .675454 | .26564986 |
| 6 | 5p | 8.209250 | .00324498 |
| 7 | 4p | 20.925053 | -.00017285 |
| 8 | 2p | 2.814973 | .06256531 |
| ORB.ENERGY,a.u. | -.106550 | ||
| NORM | 1.000002 | < R > | 13.640493 | < R2 > | 209.476811 | < 1/R > | .103151 | < 1/R**2 > | .041388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.841154 | 1.39857265 |
| 2 | 3p | 3.451230 | -.50391379 |
| 3 | 2p | 7.735854 | .10189964 |
| 4 | 4p | 8.719327 | .02817184 |
| 5 | 5p | 2.189047 | .03487907 |
| 6 | 4p | 1.935152 | -.03869085 |
| 7 | 5p | 25.656470 | -.00025255 |
| 8 | 4p | 15.496039 | .00070170 |
| ORB.ENERGY,a.u. | -2.452700 | ||
| NORM | 1.000000 | < R > | .738741 | < R2 > | .689436 | < 1/R > | 1.796703 | < 1/R**2 > | 4.609018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.126668 | .32108963 |
| 2 | 2s | 4.160808 | -.81480991 |
| 3 | 3s | 3.307092 | -.31521599 |
| 4 | 4s | 14.771045 | .01148768 |
| 5 | 3s | 19.404648 | .00192598 |
| 6 | 5s | 29.260727 | .00040652 |
| 7 | 5s | 2.200405 | -.02673440 |
| 8 | 4s | 1.938689 | .03092583 |
| 9 | 3s | .797375 | -.00018973 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753070 | < R2 > | .678134 | < 1/R > | 1.926864 | < 1/R**2 > | 15.313843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336741 |
| 2 | 1s | 15.492227 | .08642721 |
| 3 | 2s | 5.346140 | .01504246 |
| 4 | 3s | 7.013752 | -.01793975 |
| 5 | 4s | 9.111670 | .01105608 |
| 6 | 5s | 25.875450 | .00104744 |
| 7 | 4s | 58.438062 | -.00005874 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142773 | < R2 > | .027438 | < 1/R > | 10.611030 | < 1/R**2 > | 227.650783 |
Total Energy= -160.10320964 a.u.
Kinetic Energy= 160.10397635 a.u.
Potential Energy= -320.20718599 a.u.
Virial Ratio = -1.99999521