(1s 2 2s 2 2p 5 5p 1 ) 3 S Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 5.315417 | .22342945 |
| 2 | 3p | 2.588658 | -1.84062175 |
| 3 | 4p | 2.098263 | 4.65710399 |
| 4 | 5p | 1.941474 | -3.45891474 |
| 5 | 2p | 10.705107 | .04638576 |
| 6 | 5p | 17.024129 | .00240942 |
| 7 | 5p | 1.772293 | -.19605406 |
| 8 | 4p | 40.111692 | -.00011079 |
| ORB.ENERGY,a.u. | -1.843800 | ||
| NORM | .999999 | < R > | 3.566706 | < R2 > | 14.302329 | < 1/R > | .405029 | < 1/R**2 > | .610155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.390619 | 1.17357019 |
| 2 | 3p | 7.544705 | -.23529821 |
| 3 | 2p | 13.928134 | .06179811 |
| 4 | 4p | 16.940651 | .00820092 |
| 5 | 5p | 42.221933 | -.00014004 |
| 6 | 5p | 1.994832 | .00207786 |
| 7 | 4p | 2.335014 | -.00340815 |
| 8 | 5p | 3.786758 | .00195734 |
| ORB.ENERGY,a.u. | -17.200000 | ||
| NORM | 1.000000 | < R > | .358973 | < R2 > | .158049 | < 1/R > | 3.575474 | < 1/R**2 > | 17.596036 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.336505 | .40031976 |
| 2 | 2s | 7.681480 | -.84667481 |
| 3 | 3s | 7.015265 | -.30617441 |
| 4 | 4s | 18.843992 | .00509518 |
| 5 | 3s | 21.357619 | .00694625 |
| 6 | 5s | 37.884734 | .00056259 |
| 7 | 5s | 5.966795 | -.00338884 |
| 8 | 4s | 3.952465 | .00184484 |
| 9 | 3s | 2.787497 | -.00075140 |
| 10 | 2s | 92.036965 | .00000788 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400761 | < R2 > | .189161 | < 1/R > | 3.656800 | < 1/R**2 > | 54.725530 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190273 | .93053772 |
| 2 | 1s | 25.176660 | .06482258 |
| 3 | 2s | 10.844153 | .02187857 |
| 4 | 3s | 13.382450 | -.02198523 |
| 5 | 4s | 16.613292 | .01066339 |
| 6 | 5s | 42.661013 | .00068234 |
| 7 | 4s | 99.707077 | -.00003399 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085959 | < R2 > | .009919 | < 1/R > | 17.572100 | < 1/R**2 > | 622.165794 |
Total Energy= -492.30296209 a.u.
Kinetic Energy= 492.32194251 a.u.
Potential Energy= -984.62490460 a.u.
Virial Ratio = -1.99996145