(1s 2 2s 2 2p 5 4d 1 ) 1 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | .232262 | 2.69552708 |
| 2 | 4d | .245434 | -3.35384453 |
| 3 | 3d | 1.902427 | .00420460 |
| 4 | 4d | 2.302005 | -.00134438 |
| 5 | 3d | 3.869237 | .00042805 |
| 6 | 5d | .242981 | .10128147 |
| ORB.ENERGY,a.u. | -.031138 | ||
| NORM | 1.000004 | < R > | 21.065878 | < R2 > | 507.310479 | < 1/R > | .062418 | < 1/R**2 > | .006279 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.731579 | .13375476 |
| 2 | 2p | 2.548435 | .59135515 |
| 3 | 2p | 4.496026 | .30584667 |
| 4 | 2p | 10.234600 | .01864524 |
| 5 | 4p | 2.136658 | .02930504 |
| 6 | 4p | 10.401406 | .01295876 |
| 7 | 3p | 1.437673 | -.01807714 |
| 8 | 3p | 14.066872 | .00227948 |
| 9 | 5p | 1.427617 | .00240169 |
| ORB.ENERGY,a.u. | -1.346800 | ||
| NORM | 1.000000 | < R > | .875890 | < R2 > | .982063 | < 1/R > | 1.536888 | < 1/R**2 > | 3.420184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.402768 | .30219606 |
| 2 | 2s | 3.731954 | -.78550154 |
| 3 | 3s | 2.883086 | -.34110250 |
| 4 | 4s | 13.307706 | .01542112 |
| 5 | 3s | 23.388701 | .00201721 |
| 6 | 5s | 1.846517 | -.01660076 |
| 7 | 5s | 24.623093 | .00180585 |
| 8 | 4s | 1.494556 | .01941498 |
| 9 | 3s | 1.067641 | -.00440482 |
| 10 | 2s | 50.288147 | .00004458 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860287 | < R2 > | .890303 | < 1/R > | 1.685603 | < 1/R**2 > | 11.736203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241444 | .92194726 |
| 2 | 1s | 14.465747 | .08148176 |
| 3 | 2s | 5.549478 | .00855816 |
| 4 | 3s | 13.430445 | -.00702487 |
| 5 | 4s | 19.925817 | .00340925 |
| 6 | 5s | 31.518967 | -.00006575 |
| 7 | 5s | 3.648348 | .00023251 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620052 | < 1/R**2 > | 187.253837 |
Total Energy= -127.84956711 a.u.
Kinetic Energy= 127.84895354 a.u.
Potential Energy= -255.69852064 a.u.
Virial Ratio = -2.00000480