(1s 2 2s 2 2p 5 3p 1 ) 3 S Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 5.938082 | .60215973 |
| 2 | 3p | 3.419768 | -1.18134891 |
| 3 | 4p | 9.262709 | -.07494244 |
| 4 | 2p | 14.522876 | .02894533 |
| 5 | 5p | 23.661020 | .00142152 |
| 6 | 4p | 41.093444 | .00002244 |
| 7 | 5p | 3.140303 | .01670648 |
| 8 | 4p | 2.608325 | -.01012371 |
| ORB.ENERGY,a.u. | -5.712900 | ||
| NORM | 1.000000 | < R > | 1.094160 | < R2 > | 1.375980 | < 1/R > | 1.258816 | < 1/R**2 > | 3.438917 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.430434 | 1.38821031 |
| 2 | 3p | 6.069496 | -.54221469 |
| 3 | 2p | 12.229662 | .13341618 |
| 4 | 4p | 14.334602 | .01546093 |
| 5 | 5p | 4.094277 | .00323347 |
| 6 | 4p | 4.775069 | -.01372837 |
| 7 | 5p | 43.517602 | -.00016810 |
| 8 | 3p | 27.225127 | -.00030281 |
| ORB.ENERGY,a.u. | -16.539000 | ||
| NORM | 1.000000 | < R > | .360830 | < R2 > | .160030 | < 1/R > | 3.562761 | < 1/R**2 > | 17.491729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.351684 | .39866754 |
| 2 | 2s | 7.672617 | -.84467690 |
| 3 | 3s | 7.002243 | -.30608695 |
| 4 | 4s | 18.689551 | .00459418 |
| 5 | 3s | 20.915729 | .00777800 |
| 6 | 5s | 38.829775 | .00041479 |
| 7 | 5s | 5.861404 | -.00621960 |
| 8 | 4s | 3.856402 | .00260887 |
| 9 | 3s | 2.850688 | -.00137803 |
| 10 | 2s | 73.608065 | .00001672 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .401876 | < R2 > | .190350 | < 1/R > | 3.647228 | < 1/R**2 > | 54.467130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.188357 | .93090137 |
| 2 | 1s | 25.277708 | .06425557 |
| 3 | 2s | 11.465836 | .02100208 |
| 4 | 3s | 14.195266 | -.02037481 |
| 5 | 4s | 17.249643 | .01027956 |
| 6 | 5s | 43.322961 | .00067447 |
| 7 | 4s | 98.286278 | -.00003154 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085974 | < R2 > | .009923 | < 1/R > | 17.570025 | < 1/R**2 > | 622.050313 |
Total Energy= -496.06090056 a.u.
Kinetic Energy= 496.18613659 a.u.
Potential Energy= -992.24703715 a.u.
Virial Ratio = -1.99974760