(1s 2 2s 2 2p 5 4d 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 1.644001 | 1.56937710 |
| 2 | 4d | 1.497747 | -2.06572002 |
| 3 | 3d | 7.128522 | .00955172 |
| 4 | 4d | 4.314261 | .00733652 |
| 5 | 5d | 17.298149 | -.00012056 |
| ORB.ENERGY,a.u. | -1.134700 | ||
| NORM | 1.000000 | < R > | 3.458659 | < R2 > | 13.702994 | < 1/R > | .383074 | < 1/R**2 > | .240248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.866372 | 1.22273942 |
| 2 | 3p | 5.745690 | -.30095801 |
| 3 | 2p | 11.312014 | .07563954 |
| 4 | 5p | 80.230105 | .00001364 |
| 5 | 4p | 13.531014 | .01380085 |
| 6 | 5p | 2.386931 | .00051798 |
| ORB.ENERGY,a.u. | -9.146600 | ||
| NORM | 1.000000 | < R > | .458982 | < R2 > | .260171 | < 1/R > | 2.819073 | < 1/R**2 > | 11.039915 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.139710 | .37221039 |
| 2 | 2s | 6.147304 | -.83374551 |
| 3 | 3s | 5.436807 | -.30257562 |
| 4 | 4s | 18.264776 | .00432414 |
| 5 | 3s | 17.464669 | .00671368 |
| 6 | 5s | 36.063446 | .00045087 |
| 7 | 5s | 5.191847 | -.00360685 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501456 | < R2 > | .297277 | < 1/R > | 2.911066 | < 1/R**2 > | 34.786129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204573 | .92330504 |
| 2 | 1s | 20.990791 | .07298808 |
| 3 | 2s | 8.544845 | .02100809 |
| 4 | 3s | 10.657667 | -.02130307 |
| 5 | 4s | 13.403961 | .01067708 |
| 6 | 5s | 35.711122 | .00079856 |
| 7 | 4s | 81.360356 | -.00003964 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103672 | < R2 > | .014442 | < 1/R > | 14.585181 | < 1/R**2 > | 429.135114 |
Total Energy= -327.48430788 a.u.
Kinetic Energy= 327.45094441 a.u.
Potential Energy= -654.93525229 a.u.
Virial Ratio = -2.00010189