(1s 2 2s 2 2p 6 3s 2 ) 1 S Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 2.326566 | 1.25867132 |
| 2 | 1s | 16.572738 | .05263770 |
| 3 | 2s | 8.150513 | -.68575684 |
| 4 | 3s | 6.375179 | -.68240423 |
| 5 | 4s | 3.591660 | .52634830 |
| 6 | 5s | 21.454690 | -.00156752 |
| 7 | 4s | 31.099624 | .00044084 |
| 8 | 5s | 1.577177 | -.00026898 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.200932 | < R2 > | 1.634908 | < 1/R > | 1.147216 | < 1/R**2 > | 7.804763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.079413 | .45188178 |
| 2 | 3p | 8.341483 | .47172726 |
| 3 | 5p | 5.467760 | .00901656 |
| 4 | 4p | 6.922239 | .17328544 |
| 5 | 2p | 19.345966 | .00810354 |
| 6 | 5p | 15.045982 | -.00831692 |
| 7 | 3p | 41.032167 | .00004584 |
| 8 | 4p | 37.331378 | -.00008249 |
| 9 | 3p | 4.741149 | -.00406049 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .372707 | < R2 > | .171543 | < 1/R > | 3.468271 | < 1/R**2 > | 16.676997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.384634 | .39027954 |
| 2 | 2s | 7.600595 | -.83377335 |
| 3 | 3s | 6.786013 | -.30182410 |
| 4 | 4s | 30.457475 | .00208601 |
| 5 | 3s | 16.394796 | .00956880 |
| 6 | 2s | 3.080761 | -.02518536 |
| 7 | 4s | 3.821667 | .01012463 |
| 8 | 5s | 76.964796 | .00002146 |
| 9 | 5s | 4.216707 | .00001968 |
| 10 | 2s | 126.491188 | -.00000092 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .408951 | < R2 > | .197552 | < 1/R > | 3.582434 | < 1/R**2 > | 52.700682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587260 | 1.00954434 |
| 2 | 2s | 23.117818 | -.01668672 |
| 3 | 3s | 16.382353 | .01503179 |
| 4 | 4s | 28.915364 | -.00071395 |
| 5 | 4s | 11.476429 | .00466038 |
| 6 | 5s | 43.773251 | .00042141 |
| 7 | 5s | 13.053215 | -.00288709 |
| 8 | 2s | 28.682076 | -.00289578 |
| 9 | 2s | 72.286617 | .00005453 |
| 10 | 4s | 4.373939 | .00000857 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086062 | < R2 > | .009948 | < 1/R > | 17.558740 | < 1/R**2 > | 621.428353 |
Total Energy= -515.68132543 a.u.
Kinetic Energy= 515.68135157 a.u.
Potential Energy= -1031.36267700 a.u.
Virial Ratio = -1.99999995