(1s 2 2s 1 5d 1 ) 3 D Cl 13+
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 | 2.768039 | 3.56137182 |
| 2 | 4d | 2.801721 | -9.01986040 |
| 3 | 5d | 2.820929 | 6.09835104 |
| 4 | 3d | 5.763467 | .02920932 |
| 5 | 5d | 42.179506 | .00000621 |
| 6 | 5d | 2.434576 | .02545191 |
| 7 | 4d | 12.302597 | .00366435 |
| 8 | 3d | 19.827419 | .00043794 |
| ORB.ENERGY,a.u. | -3.956000 | ||
| NORM | 1.000001 | < R > | 2.441715 | < R2 > | 6.762420 | < 1/R > | .566224 | < 1/R**2 > | .647616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.781384 | .43780526 |
| 2 | 2s | 7.466140 | -.81855326 |
| 3 | 3s | 8.860221 | -.30614619 |
| 4 | 5s | 15.045776 | -.01882328 |
| 5 | 4s | 29.543449 | .00590581 |
| 6 | 5s | 38.909215 | -.00151352 |
| 7 | 4s | 101.915970 | .00002043 |
| ORB.ENERGY,a.u. | -29.187000 | ||
| NORM | 1.000000 | < R > | .381486 | < R2 > | .169718 | < 1/R > | 3.874233 | < 1/R**2 > | 60.443926 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395926 | .93948728 |
| 2 | 1s | 25.906144 | .04777192 |
| 3 | 2s | 20.363886 | .01682077 |
| 4 | 3s | 12.351086 | .00138029 |
| 5 | 4s | 67.905527 | -.00042005 |
| 6 | 5s | 90.529446 | .00015364 |
| 7 | 5s | 8.682018 | .00009989 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090332 | < R2 > | .010917 | < 1/R > | 16.674693 | < 1/R**2 > | 559.013594 |
Total Energy= -312.10545490 a.u.
Kinetic Energy= 312.04852848 a.u.
Potential Energy= -624.15398338 a.u.
Virial Ratio = -2.00018243