(1s 2 2s 1 4s 1 ) 3 S Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 8.485036 | .13652249 |
| 2 | 2s | 2.411334 | -1.62679918 |
| 3 | 3s | 2.165027 | 4.68330409 |
| 4 | 4s | 2.106832 | -3.90184428 |
| 5 | 5s | 3.811056 | .14487098 |
| 6 | 4s | 7.254794 | -.05079528 |
| 7 | 5s | 21.462812 | .00119579 |
| 8 | 4s | 29.538729 | .00021096 |
| ORB.ENERGY,a.u. | -2.188800 | ||
| NORM | 1.000000 | < R > | 2.753460 | < R2 > | 8.513082 | < 1/R > | .526652 | < 1/R**2 > | 2.185754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.193980 | .39417665 |
| 2 | 2s | 4.546127 | -.77796008 |
| 3 | 3s | 5.430599 | -.30129314 |
| 4 | 5s | 9.521757 | -.03322196 |
| 5 | 4s | 19.351523 | .00827874 |
| 6 | 5s | 25.590644 | -.00218223 |
| 7 | 4s | 67.701703 | .00002794 |
| ORB.ENERGY,a.u. | -10.569000 | ||
| NORM | 1.000000 | < R > | .616945 | < R2 > | .443984 | < 1/R > | 2.375923 | < 1/R**2 > | 22.793513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.450177 | .94284152 |
| 2 | 1s | 17.112755 | .04932916 |
| 3 | 2s | 12.263271 | .01219871 |
| 4 | 3s | 7.671487 | .00238848 |
| 5 | 4s | 43.823076 | -.00062371 |
| 6 | 5s | 58.407723 | .00022855 |
| 7 | 5s | 1.710930 | .00020887 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141442 | < R2 > | .026817 | < 1/R > | 10.674742 | < 1/R**2 > | 229.779562 |
Total Energy= -127.40981691 a.u.
Kinetic Energy= 127.41941354 a.u.
Potential Energy= -254.82923046 a.u.
Virial Ratio = -1.99992468