(1s 2 2s 2 2p 1 5d 1 ) 3 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 3.338562 | 1.51100310 |
| 2 | 4d | 2.736092 | -4.71637310 |
| 3 | 5d | 2.595842 | 3.93086213 |
| 4 | 3d | 7.696201 | .02783958 |
| 5 | 5d | 2.094425 | -.02085279 |
| 6 | 5d | 11.405083 | -.00348616 |
| 7 | 4d | 41.237791 | .00004126 |
| 8 | 3d | 72.634623 | .00000199 |
| ORB.ENERGY,a.u. | -3.439500 | ||
| NORM | 1.000000 | < R > | 2.604268 | < R2 > | 7.698791 | < 1/R > | .533740 | < 1/R**2 > | .584710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.608809 | 1.08549948 |
| 2 | 3p | 9.088179 | -.09687232 |
| 3 | 2p | 18.551527 | .01177221 |
| 4 | 5p | 23.246544 | .00224835 |
| 5 | 5p | 5.471405 | .00778442 |
| 6 | 4p | 4.764860 | -.00837636 |
| ORB.ENERGY,a.u. | -27.186000 | ||
| NORM | 1.000000 | < R > | .320222 | < R2 > | .123930 | < 1/R > | 3.939348 | < 1/R**2 > | 20.943733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.371399 | .39060383 |
| 2 | 2s | 7.030721 | -.81748106 |
| 3 | 3s | 10.026276 | -.28754392 |
| 4 | 4s | 33.250933 | .00116657 |
| 5 | 5s | 19.618976 | -.00820620 |
| 6 | 5s | 7.829922 | .01794559 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371526 | < R2 > | .161388 | < 1/R > | 3.962428 | < 1/R**2 > | 63.424313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.202977 | .93911302 |
| 2 | 1s | 26.411094 | .05733529 |
| 3 | 2s | 15.922519 | .02015577 |
| 4 | 3s | 19.413417 | -.01417736 |
| 5 | 4s | 86.805494 | -.00006076 |
| 6 | 5s | 41.398954 | .00061950 |
| 7 | 5s | 10.298061 | .00004306 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646019 | < 1/R**2 > | 626.240625 |
Total Energy= -408.65517186 a.u.
Kinetic Energy= 408.65013233 a.u.
Potential Energy= -817.30530419 a.u.
Virial Ratio = -2.00001233