(1s 2 2s 1 3d 1 ) 3 D Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 4.705487 | .99488017 |
| 2 | 3d | 8.329693 | .02374528 |
| 3 | 4d | 14.443397 | -.00171604 |
| 4 | 5d | 5.391900 | -.01367173 |
| 5 | 5d | 26.439590 | -.00018617 |
| ORB.ENERGY,a.u. | -11.068000 | ||
| NORM | 1.000000 | < R > | .733396 | < R2 > | .616179 | < 1/R > | 1.595668 | < 1/R**2 > | 3.067603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.013722 | .42452761 |
| 2 | 2s | 7.254326 | -.81147045 |
| 3 | 3s | 9.049921 | -.29760311 |
| 4 | 5s | 15.961271 | -.02004075 |
| 5 | 4s | 32.601383 | .00259203 |
| 6 | 5s | 46.723565 | -.00045601 |
| ORB.ENERGY,a.u. | -28.291000 | ||
| NORM | 1.000000 | < R > | .383544 | < R2 > | .171711 | < 1/R > | 3.852380 | < 1/R**2 > | 59.807850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395918 | .93948691 |
| 2 | 1s | 25.906962 | .04777255 |
| 3 | 2s | 20.366857 | .01682109 |
| 4 | 3s | 12.287460 | .00139000 |
| 5 | 4s | 67.880388 | -.00041950 |
| 6 | 5s | 90.500305 | .00015312 |
| 7 | 5s | 8.399834 | .00009459 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090332 | < R2 > | .010917 | < 1/R > | 16.674747 | < 1/R**2 > | 559.017327 |
Total Energy= -319.54408374 a.u.
Kinetic Energy= 319.15800914 a.u.
Potential Energy= -638.70209288 a.u.
Virial Ratio = -2.00120967