(1s 2 2s 2 2p 2 4d 1 ) 4 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | .279716 | 1.50007915 |
| 2 | 4d | .246510 | -1.95893953 |
| 3 | 3d | 1.610888 | .00948146 |
| 4 | 5d | .626679 | -.02078089 |
| 5 | 4d | 4.053488 | .00077272 |
| 6 | 5d | 14.696372 | .00003432 |
| ORB.ENERGY,a.u. | -.031207 | ||
| NORM | 1.000005 | < R > | 20.958840 | < R2 > | 503.237015 | < 1/R > | .063297 | < 1/R**2 > | .006620 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.760021 | .70918498 |
| 2 | 2p | 2.953444 | .28065679 |
| 3 | 2p | 6.887957 | .01713386 |
| 4 | 3p | 1.414801 | .03165470 |
| 5 | 2p | 4.288048 | .01129395 |
| 6 | 5p | 8.301587 | .00467622 |
| 7 | 5p | 8.301383 | -.00066615 |
| ORB.ENERGY,a.u. | -.971730 | ||
| NORM | 1.000000 | < R > | 1.243831 | < R2 > | 1.933182 | < 1/R > | 1.055899 | < 1/R**2 > | 1.580372 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.899481 | .28611890 |
| 2 | 2s | 2.452789 | -.83287869 |
| 3 | 3s | 1.982565 | -.26759780 |
| 4 | 4s | 8.352469 | .02204922 |
| 5 | 3s | 10.163665 | .00706409 |
| 6 | 5s | 2.813432 | -.01334886 |
| 7 | 5s | 16.549414 | .00088165 |
| 8 | 3s | .914837 | -.00044202 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252881 | < R2 > | 1.874415 | < 1/R > | 1.140814 | < 1/R**2 > | 5.286732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229992 | .71796500 |
| 2 | 1s | 9.302414 | .22514410 |
| 3 | 1s | 2.644954 | .00479823 |
| 4 | 2s | 6.904550 | .08344536 |
| 5 | 3s | 7.780650 | -.02157678 |
| 6 | 4s | 12.684972 | .00689529 |
| 7 | 5s | 28.102400 | .00017004 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656725 | < 1/R**2 > | 89.910942 |
Total Energy= -53.91986464 a.u.
Kinetic Energy= 53.91921652 a.u.
Potential Energy= -107.83908115 a.u.
Virial Ratio = -2.00001202