(1s 2 2s 2 2p 2 5d 1 ) 2 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | .504044 | 1.67120244 |
| 2 | 4d | .460200 | -3.67093410 |
| 3 | 5d | .389902 | 2.83972738 |
| 4 | 3d | 2.232859 | .02004039 |
| 5 | 4d | .307294 | -.20724895 |
| 6 | 5d | 1.779940 | .02054304 |
| 7 | 4d | 6.233942 | .00052981 |
| 8 | 5d | 23.115275 | .00002414 |
| ORB.ENERGY,a.u. | -.082253 | ||
| NORM | 1.000008 | < R > | 16.702828 | < R2 > | 317.280937 | < 1/R > | .084478 | < 1/R**2 > | .015430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.298728 | .78512082 |
| 2 | 2p | 3.923356 | .22392168 |
| 3 | 2p | 8.319633 | .01239077 |
| 4 | 3p | 1.555280 | .02604181 |
| 5 | 4p | 1.098061 | -.01469572 |
| 6 | 5p | 17.010575 | -.00074553 |
| 7 | 5p | 1.162642 | .00930307 |
| 8 | 4p | 24.436552 | -.00013413 |
| ORB.ENERGY,a.u. | -1.899300 | ||
| NORM | 1.000000 | < R > | .984930 | < R2 > | 1.200682 | < 1/R > | 1.318652 | < 1/R**2 > | 2.432750 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.679474 | .31147304 |
| 2 | 5s | 19.726073 | .00061952 |
| 3 | 2s | 2.924334 | -.84331253 |
| 4 | 3s | 2.524725 | -.26492579 |
| 5 | 4s | 9.688182 | .01834755 |
| 6 | 3s | 11.202113 | .00712743 |
| 7 | 5s | 2.694812 | -.00633110 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.033990 | < R2 > | 1.268638 | < 1/R > | 1.388297 | < 1/R**2 > | 7.842836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340032 | .73695202 |
| 2 | 1s | 10.790541 | .19546699 |
| 3 | 1s | 2.224884 | .00410309 |
| 4 | 2s | 7.734202 | .09950977 |
| 5 | 3s | 8.868788 | -.02277496 |
| 6 | 4s | 15.077158 | .00462966 |
| 7 | 5s | 3.864998 | -.00080290 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198213 | < R2 > | .052886 | < 1/R > | 7.650523 | < 1/R**2 > | 118.574684 |
Total Energy= -73.18227968 a.u.
Kinetic Energy= 73.18245092 a.u.
Potential Energy= -146.36473060 a.u.
Virial Ratio = -1.99999766