(1s 2 2s 2 2p 3 5s 1 ) 3 S Ar 10+
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 | 13.897405 | .08320628 |
| 2 | 2s | 4.740287 | -.62541196 |
| 3 | 3s | 2.932902 | 3.23586740 |
| 4 | 4s | 2.557252 | -6.21719565 |
| 5 | 5s | 2.332522 | 4.11019527 |
| 6 | 5s | 19.533035 | -.00133206 |
| 7 | 4s | 33.820971 | .00028334 |
| ORB.ENERGY,a.u. | -2.736000 | ||
| NORM | 1.000000 | < R > | 3.027356 | < R2 > | 10.256890 | < 1/R > | .476068 | < 1/R**2 > | 2.207652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.261084 | 1.25581207 |
| 2 | 3p | 9.224361 | -.31387353 |
| 3 | 4p | 11.217112 | .05545366 |
| 4 | 5p | 39.295105 | -.00026254 |
| 5 | 4p | 4.189064 | .01020172 |
| 6 | 3p | 21.657675 | -.00260347 |
| 7 | 5p | 4.589837 | -.00746891 |
| ORB.ENERGY,a.u. | -22.350000 | ||
| NORM | 1.000000 | < R > | .336886 | < R2 > | .137920 | < 1/R > | 3.769238 | < 1/R**2 > | 19.323030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.213310 | .38163029 |
| 2 | 2s | 7.084696 | -.80928033 |
| 3 | 3s | 9.863392 | -.25611968 |
| 4 | 4s | 29.279034 | .00289589 |
| 5 | 5s | 9.212886 | -.04464112 |
| 6 | 4s | 2.173669 | .02127990 |
| 7 | 5s | 2.932507 | -.02124736 |
| 8 | 2s | 46.142220 | -.00008752 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .385404 | < R2 > | .174339 | < 1/R > | 3.810830 | < 1/R**2 > | 59.053302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.191447 | .94618786 |
| 2 | 1s | 26.936171 | .05139622 |
| 3 | 2s | 15.058707 | .01883653 |
| 4 | 3s | 21.214873 | -.01480296 |
| 5 | 4s | 31.120436 | .00235535 |
| 6 | 5s | 54.662902 | .00022296 |
| 7 | 5s | 11.336070 | .00043469 |
| 8 | 4s | 2.635014 | .00426702 |
| 9 | 3s | 1.994338 | -.00433429 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085716 | < R2 > | .009852 | < 1/R > | 17.603781 | < 1/R**2 > | 623.904368 |
Total Energy= -455.92763188 a.u.
Kinetic Energy= 455.91412211 a.u.
Potential Energy= -911.84175399 a.u.
Virial Ratio = -2.00002963