(1s 2 4d 1 ) 2 D Ar 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4.181175 | 1.81886074 |
| 2 | 4d | 3.988978 | -2.32436558 |
| 3 | 3d | 22.086600 | .00027510 |
| 4 | 4d | 14.114385 | .00030714 |
| 5 | 5d | 3.553406 | .00169829 |
| ORB.ENERGY,a.u. | -8.008400 | ||
| NORM | 1.000000 | < R > | 1.311901 | < R2 > | 1.967115 | < 1/R > | 1.000807 | < 1/R**2 > | 1.604040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.380218 | .93923759 |
| 2 | 1s | 27.418146 | .04807500 |
| 3 | 2s | 22.010533 | .01737083 |
| 4 | 3s | 15.522776 | .00021810 |
| 5 | 4s | 59.490058 | -.00062312 |
| 6 | 5s | 73.192999 | .00020961 |
| 7 | 3s | 100.005359 | -.00002765 |
| ORB.ENERGY,a.u. | -150.380000 |
| NORM | 1.000000 | < R > | .085112 | < R2 > | .009685 | < 1/R > | 17.687204 | < 1/R**2 > | 628.615174 |
Total Energy= -320.87040508 a.u.
Kinetic Energy= 320.86365098 a.u.
Potential Energy= -641.73405607 a.u.
Virial Ratio = -2.00002105