(1s 2 2s 2 2p 6 3s 1 5s 1 ) 3 S Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 14.523498 | .05500143 |
| 2 | 2s | 5.547199 | -.25262567 |
| 3 | 3s | 2.688268 | 1.12552840 |
| 4 | 4s | 1.910088 | -2.82803580 |
| 5 | 5s | 1.632799 | 2.51004983 |
| 6 | 5s | 18.541576 | -.00400885 |
| 7 | 4s | 23.775903 | -.00105982 |
| 8 | 3s | 44.153695 | -.00004931 |
| ORB.ENERGY,a.u. | -1.298100 | ||
| NORM | .999999 | < R > | 4.079400 | < R2 > | 18.578408 | < 1/R > | .342856 | < 1/R**2 > | 1.138950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.727071 | 3.02533794 |
| 2 | 1s | 20.172120 | .01692025 |
| 3 | 2s | 6.999002 | -1.45208280 |
| 4 | 3s | 2.183082 | -.74530514 |
| 5 | 4s | 6.222535 | -.73019943 |
| 6 | 5s | 10.099958 | -.11729019 |
| 7 | 4s | 13.728497 | -.02413306 |
| 8 | 5s | 1.467237 | -.00220713 |
| 9 | 2s | 77.619448 | .00000937 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | .999999 | < R > | 1.165949 | < R2 > | 1.539529 | < 1/R > | 1.191429 | < 1/R**2 > | 8.512504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.055828 | .45562429 |
| 2 | 3p | 8.340516 | .46842798 |
| 3 | 5p | 5.210531 | .00761737 |
| 4 | 4p | 6.928209 | .17351527 |
| 5 | 2p | 19.462029 | .00802530 |
| 6 | 5p | 15.013647 | -.00853444 |
| 7 | 3p | 57.181055 | .00003182 |
| 8 | 4p | 110.950389 | -.00000368 |
| 9 | 3p | 3.818967 | -.00482766 |
| 10 | 4p | 1.491623 | .00003999 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371671 | < R2 > | .170430 | < 1/R > | 3.475386 | < 1/R**2 > | 16.735983 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.083588 | .40267610 |
| 2 | 2s | 7.633043 | -.83580819 |
| 3 | 3s | 6.846998 | -.28119643 |
| 4 | 4s | 22.778529 | .00204704 |
| 5 | 3s | 10.811767 | .01742417 |
| 6 | 2s | 4.796819 | -.05385858 |
| 7 | 5s | 1.163925 | -.00168216 |
| 8 | 5s | 38.185518 | .00041118 |
| 9 | 2s | 28.950859 | -.00175750 |
| 10 | 2s | 74.140561 | .00001763 |
| 11 | 4s | .932964 | .00131844 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409159 | < R2 > | .197793 | < 1/R > | 3.580785 | < 1/R**2 > | 52.655751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587453 | 1.00954511 |
| 2 | 2s | 23.119737 | -.01668888 |
| 3 | 3s | 16.360707 | .01505015 |
| 4 | 4s | 28.558847 | -.00071937 |
| 5 | 4s | 11.725167 | .00448833 |
| 6 | 5s | 43.474738 | .00041665 |
| 7 | 5s | 13.416624 | -.00272342 |
| 8 | 2s | 28.667647 | -.00289082 |
| 9 | 2s | 72.344336 | .00005454 |
| 10 | 3s | 2.725595 | -.00001198 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086061 | < R2 > | .009948 | < 1/R > | 17.558966 | < 1/R**2 > | 621.444187 |
Total Energy= -512.49312680 a.u.
Kinetic Energy= 512.49862206 a.u.
Potential Energy= -1024.99174886 a.u.
Virial Ratio = -1.99998928