(1s 2 2s 2 2p 2 3d 1 ) 4 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 3d- electron | |
| 1 | 3d | .334643 | .97889466 |
| 2 | 3d | 2.027094 | .00902453 |
| 3 | 4d | 1.389336 | .00738156 |
| 4 | 5d | .371352 | .02094477 |
| 5 | 5d | 4.169914 | -.00027456 |
| ORB.ENERGY,a.u. | -.055229 | ||
| NORM | 1.000000 | < R > | 10.505025 | < R2 > | 126.420778 | < 1/R > | .111758 | < 1/R**2 > | .015257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.741923 | .71161862 |
| 2 | 2p | 2.945144 | .29234542 |
| 3 | 2p | 6.814283 | .01716753 |
| 4 | 3p | 1.311395 | .02098465 |
| 5 | 2p | 6.155650 | .00434362 |
| 6 | 5p | 8.082791 | .00656386 |
| 7 | 5p | 13.925685 | .00074201 |
| 8 | 4p | 23.124912 | .00007978 |
| ORB.ENERGY,a.u. | -.890940 | ||
| NORM | 1.000000 | < R > | 1.243876 | < R2 > | 1.933574 | < 1/R > | 1.055920 | < 1/R**2 > | 1.580459 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.874694 | .28791104 |
| 2 | 2s | 2.481378 | -.82933546 |
| 3 | 3s | 1.969585 | -.26873632 |
| 4 | 4s | 8.066538 | .02328834 |
| 5 | 3s | 9.693472 | .00920851 |
| 6 | 5s | 3.061088 | -.02327809 |
| 7 | 5s | 15.735016 | .00093174 |
| 8 | 2s | 48.130179 | .00000418 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252952 | < R2 > | 1.874685 | < 1/R > | 1.140769 | < 1/R**2 > | 5.286374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230017 | .71792968 |
| 2 | 1s | 9.301921 | .22517047 |
| 3 | 1s | 2.652079 | .00483423 |
| 4 | 2s | 6.903970 | .08342248 |
| 5 | 3s | 7.777121 | -.02158399 |
| 6 | 4s | 12.680257 | .00689136 |
| 7 | 5s | 28.042274 | .00017145 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656724 | < 1/R**2 > | 89.910915 |
Total Energy= -53.94472130 a.u.
Kinetic Energy= 53.94323814 a.u.
Potential Energy= -107.88795944 a.u.
Virial Ratio = -2.00002749