(1s 2 2s 2 2p 4 4d 1 ) 2 D F 0
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 | .285555 | 1.42449852 |
| 2 | 4d | .247457 | -1.88901306 |
| 3 | 3d | 2.866538 | .00053996 |
| 4 | 5d | .611757 | -.01432277 |
| 5 | 4d | 7.797515 | .00002922 |
| ORB.ENERGY,a.u. | -.031473 | ||
| NORM | 1.000001 | < R > | 20.836033 | < R2 > | 496.376366 | < 1/R > | .063113 | < 1/R**2 > | .006409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.210388 | .67447887 |
| 2 | 2p | 3.946666 | .31802152 |
| 3 | 2p | 9.774352 | .01598905 |
| 4 | 3p | 1.539390 | .05703569 |
| 5 | 4p | 9.486402 | .01355621 |
| 6 | 4p | .932894 | -.04240514 |
| 7 | 3p | 12.515189 | .00314933 |
| 8 | 5p | 1.039137 | .03411047 |
| ORB.ENERGY,a.u. | -1.125100 | ||
| NORM | 1.000000 | < R > | .969873 | < R2 > | 1.195263 | < 1/R > | 1.377822 | < 1/R**2 > | 2.732130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.492778 | .30237587 |
| 2 | 2s | 3.280633 | -.83648787 |
| 3 | 3s | 2.608842 | -.31937990 |
| 4 | 4s | 4.797946 | .03039443 |
| 5 | 3s | 8.733361 | .02659706 |
| 6 | 5s | 19.307534 | .00072418 |
| 7 | 5s | 2.272739 | -.00528291 |
| 8 | 2s | 50.586460 | .00000737 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960928 | < R2 > | 1.108633 | < 1/R > | 1.503339 | < 1/R**2 > | 9.296165 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.230715 | .87165042 |
| 2 | 1s | 12.227333 | .12120974 |
| 3 | 1s | 10.030229 | .00296017 |
| 4 | 2s | 6.005893 | .01817956 |
| 5 | 3s | 8.203095 | -.00759705 |
| 6 | 4s | 17.134660 | .00294646 |
| 7 | 5s | 51.571033 | -.00004115 |
| 8 | 5s | 4.193509 | .00044918 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632445 | < 1/R**2 > | 150.887148 |
Total Energy= -98.86349269 a.u.
Kinetic Energy= 98.86318569 a.u.
Potential Energy= -197.72667838 a.u.
Virial Ratio = -2.00000311