(1s 2 2s 2 5s 1 ) 2 S Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 8.089943 | .07597124 |
| 2 | 2s | 2.418389 | -.63706399 |
| 3 | 3s | 1.557656 | 3.71144605 |
| 4 | 4s | 1.435042 | -6.24251506 |
| 5 | 5s | 1.263338 | 3.66501039 |
| 6 | 5s | 11.067475 | -.00634308 |
| 7 | 4s | 5.838938 | -.03424611 |
| 8 | 4s | .731093 | -.00376803 |
| ORB.ENERGY,a.u. | -.813560 | ||
| NORM | .999999 | < R > | 5.546614 | < R2 > | 34.422136 | < 1/R > | .260245 | < 1/R**2 > | .660508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.567266 | .35615200 |
| 2 | 2s | 3.840620 | -.76749882 |
| 3 | 3s | 5.146784 | -.30124652 |
| 4 | 4s | 13.569866 | .00823385 |
| 5 | 5s | 4.840397 | -.03103552 |
| 6 | 3s | 12.611872 | .00664770 |
| 7 | 5s | 28.513212 | .00023101 |
| ORB.ENERGY,a.u. | -7.242400 | ||
| NORM | 1.000000 | < R > | .712130 | < R2 > | .593196 | < 1/R > | 2.039647 | < 1/R**2 > | 16.774627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.287243 | .88734995 |
| 2 | 1s | 13.565264 | .10834401 |
| 3 | 2s | 7.601910 | .01480312 |
| 4 | 3s | 8.697372 | -.00858325 |
| 5 | 4s | 19.102423 | .00379609 |
| 6 | 5s | 12.833036 | -.00004448 |
| ORB.ENERGY,a.u. | -40.137000 |
| NORM | 1.000000 | < R > | .156181 | < R2 > | .032707 | < 1/R > | 9.672760 | < 1/R**2 > | 188.823853 |
Total Energy= -110.92407737 a.u.
Kinetic Energy= 110.92410740 a.u.
Potential Energy= -221.84818478 a.u.
Virial Ratio = -1.99999973