(1s 2 2s 2 2p 2 4d 1 ) 4 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 4d- electron | |
| 1 | 3d | 3.348816 | 1.14569331 |
| 2 | 4d | 2.740535 | -1.66613421 |
| 3 | 3d | 7.218591 | .05448045 |
| 4 | 4d | 8.496561 | -.00966227 |
| 5 | 5d | 2.111314 | .02960520 |
| 6 | 5d | 26.414318 | -.00036875 |
| 7 | 4d | 44.715881 | -.00002959 |
| 8 | 4d | 1.787450 | -.02108607 |
| ORB.ENERGY,a.u. | -3.910300 | ||
| NORM | 1.000000 | < R > | 1.833999 | < R2 > | 3.853400 | < 1/R > | .725310 | < 1/R**2 > | .873029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.823732 | 1.12430230 |
| 2 | 3p | 8.100128 | -.14465435 |
| 3 | 2p | 16.611542 | .01793720 |
| 4 | 4p | 19.078604 | .00565087 |
| 5 | 5p | 28.983597 | -.00079401 |
| 6 | 5p | 3.811541 | -.00058061 |
| 7 | 4p | 76.226382 | .00002303 |
| ORB.ENERGY,a.u. | -21.033000 | ||
| NORM | 1.000000 | < R > | .351961 | < R2 > | .150224 | < 1/R > | 3.599346 | < 1/R**2 > | 17.574333 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324505 | .43081010 |
| 2 | 2s | 7.490666 | -.86876645 |
| 3 | 3s | 7.615210 | -.28626413 |
| 4 | 4s | 28.700189 | .00199673 |
| 5 | 3s | 15.715085 | .01690736 |
| 6 | 5s | 7.693413 | -.02050522 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404327 | < R2 > | .191527 | < 1/R > | 3.631685 | < 1/R**2 > | 53.492840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144721 |
| 2 | 1s | 24.151380 | .07730011 |
| 3 | 2s | 15.034408 | .01928167 |
| 4 | 3s | 18.606087 | -.01560891 |
| 5 | 5s | 40.512447 | .00084916 |
| 6 | 4s | 97.148718 | -.00003068 |
| 7 | 5s | 12.577344 | .00033242 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625544 | < 1/R**2 > | 556.394452 |
Total Energy= -385.05907158 a.u.
Kinetic Energy= 385.07258778 a.u.
Potential Energy= -770.13165936 a.u.
Virial Ratio = -1.99996490