(1s 2 2s 2 ) 3 S Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 14.841244 | .42014513 |
| 2 | 2s | 7.644000 | -.80900194 |
| 3 | 3s | 9.634618 | -.29633462 |
| 4 | 5s | 17.465429 | -.01295664 |
| 5 | 4s | 31.999208 | .00226916 |
| 6 | 5s | 10.229724 | -.01068650 |
| 7 | 2s | 63.355112 | -.00002467 |
| ORB.ENERGY,a.u. | -31.236000 | ||
| NORM | 1.000000 | < R > | .364556 | < R2 > | .155165 | < 1/R > | 4.044104 | < 1/R**2 > | 65.832719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.375358 | .94280209 |
| 2 | 1s | 28.591251 | .04315153 |
| 3 | 2s | 23.487495 | .01744208 |
| 4 | 3s | 16.424798 | .00207312 |
| 5 | 4s | 72.201150 | -.00043128 |
| 6 | 5s | 96.714488 | .00015569 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085221 | < R2 > | .009714 | < 1/R > | 17.670152 | < 1/R**2 > | 627.581437 |
Total Energy= -377.53551808 a.u.
Kinetic Energy= 377.53551564 a.u.
Potential Energy= -755.07103372 a.u.
Virial Ratio = -2.00000001