(1s 2 2s 2 2p 6 3d 1 ) 2 D Ar 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 2.145719 | 1.21485746 |
| 2 | 4d | 2.299867 | -.61382873 |
| 3 | 3d | 3.552101 | .54043840 |
| 4 | 4d | 4.620899 | -.16800467 |
| 5 | 5d | 8.187807 | -.00722925 |
| 6 | 3d | 8.912100 | .01409469 |
| 7 | 4d | 47.632451 | .00001302 |
| ORB.ENERGY,a.u. | -3.736700 | ||
| NORM | 1.000000 | < R > | 1.206620 | < R2 > | 1.687294 | < 1/R > | .987877 | < 1/R**2 > | 1.211081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.193631 | .45539000 |
| 2 | 3p | 8.318081 | .46762676 |
| 3 | 5p | 6.344372 | .01581480 |
| 4 | 4p | 7.103725 | .16117174 |
| 5 | 2p | 21.740970 | .00399578 |
| 6 | 5p | 15.384945 | -.00345218 |
| 7 | 4p | 66.926531 | .00002924 |
| 8 | 3p | 106.732937 | .00000285 |
| 9 | 5p | 4.313470 | .00055537 |
| ORB.ENERGY,a.u. | -14.546000 | ||
| NORM | 1.000000 | < R > | .371248 | < R2 > | .170053 | < 1/R > | 3.479468 | < 1/R**2 > | 16.774840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.404521 | .38908370 |
| 2 | 2s | 7.564805 | -.84373302 |
| 3 | 3s | 6.698510 | -.30761403 |
| 4 | 4s | 30.287113 | .00159670 |
| 5 | 3s | 17.586383 | .00865644 |
| 6 | 2s | 5.888009 | .00331766 |
| 7 | 5s | 5.847008 | -.00297004 |
| ORB.ENERGY,a.u. | -17.326000 | ||
| NORM | 1.000000 | < R > | .409299 | < R2 > | .197904 | < 1/R > | 3.579042 | < 1/R**2 > | 52.602180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.577452 | 1.01046578 |
| 2 | 2s | 23.129767 | -.01896378 |
| 3 | 3s | 15.596893 | .01581541 |
| 4 | 4s | 66.053501 | -.00052556 |
| 5 | 5s | 11.646545 | .00106298 |
| 6 | 5s | 82.728344 | .00017676 |
| 7 | 4s | 11.696497 | -.00084335 |
| 8 | 2s | 34.446803 | -.00081353 |
| 9 | 3s | 124.407944 | -.00001522 |
| 10 | 2s | 1.923326 | .00000670 |
| ORB.ENERGY,a.u. | -123.610000 |
| NORM | 1.000000 | < R > | .086055 | < R2 > | .009946 | < 1/R > | 17.559931 | < 1/R**2 > | 621.502820 |
Total Energy= -509.71246750 a.u.
Kinetic Energy= 509.70538311 a.u.
Potential Energy= -1019.41785061 a.u.
Virial Ratio = -2.00001390