(1s 2 2s 2 2p 5 4d 1 ) 3 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 2.620091 | 1.26086082 |
| 2 | 4d | 2.279228 | -1.80711676 |
| 3 | 3d | 7.746807 | .04059025 |
| 4 | 4d | 5.631745 | .04096170 |
| 5 | 5d | 9.493609 | -.00167940 |
| 6 | 4d | 51.758411 | .00000908 |
| ORB.ENERGY,a.u. | -2.624600 | ||
| NORM | .999999 | < R > | 2.226654 | < R2 > | 5.696109 | < 1/R > | .603560 | < 1/R**2 > | .616944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.394806 | 1.16938748 |
| 2 | 3p | 7.560108 | -.23171457 |
| 3 | 2p | 14.009399 | .06119407 |
| 4 | 4p | 16.986741 | .00952332 |
| 5 | 5p | 5.192648 | .00123132 |
| 6 | 4p | 3.245595 | -.00052845 |
| 7 | 4p | 72.074961 | .00002025 |
| ORB.ENERGY,a.u. | -16.920000 | ||
| NORM | 1.000000 | < R > | .359157 | < R2 > | .158245 | < 1/R > | 3.574380 | < 1/R**2 > | 17.588176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.347575 | .39971538 |
| 2 | 2s | 7.677477 | -.84602712 |
| 3 | 3s | 7.001405 | -.30610446 |
| 4 | 4s | 19.525308 | .00462784 |
| 5 | 3s | 21.516314 | .00693334 |
| 6 | 5s | 38.762686 | .00041874 |
| 7 | 5s | 5.731702 | -.00318127 |
| 8 | 4s | 3.797956 | .00176875 |
| 9 | 3s | 2.711305 | -.00064846 |
| 10 | 2s | 75.027148 | .00001572 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400931 | < R2 > | .189349 | < 1/R > | 3.655441 | < 1/R**2 > | 54.688726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052879 |
| 2 | 1s | 25.174346 | .06482712 |
| 3 | 2s | 10.854519 | .02185557 |
| 4 | 3s | 13.391168 | -.02197072 |
| 5 | 4s | 16.616887 | .01065807 |
| 6 | 5s | 42.950346 | .00068755 |
| 7 | 4s | 99.026011 | -.00003242 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572717 | < 1/R**2 > | 622.200670 |
Total Energy= -493.11925395 a.u.
Kinetic Energy= 493.10396927 a.u.
Potential Energy= -986.22322322 a.u.
Virial Ratio = -2.00003100