(1s 2 2s 2 2p 5 4d 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | .579222 | 1.32596667 |
| 2 | 4d | .502640 | -1.83683608 |
| 3 | 3d | 2.497954 | .02996122 |
| 4 | 4d | 1.455072 | .02840384 |
| 5 | 5d | 3.876716 | -.00683230 |
| 6 | 4d | 9.547808 | .00036688 |
| 7 | 4d | 24.789728 | .00002109 |
| ORB.ENERGY,a.u. | -.128340 | ||
| NORM | 1.000000 | < R > | 10.139257 | < R2 > | 118.104751 | < 1/R > | .132577 | < 1/R**2 > | .030004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.838509 | 1.40763765 |
| 2 | 3p | 3.442892 | -.51303556 |
| 3 | 2p | 7.764319 | .10053084 |
| 4 | 4p | 8.810831 | .02776539 |
| 5 | 5p | 2.128087 | .02873822 |
| 6 | 4p | 1.883628 | -.03140977 |
| 7 | 5p | 26.033685 | -.00027024 |
| 8 | 4p | 16.916897 | .00058985 |
| ORB.ENERGY,a.u. | -2.405900 | ||
| NORM | 1.000000 | < R > | .738771 | < R2 > | .689565 | < 1/R > | 1.796738 | < 1/R**2 > | 4.609318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.122480 | .32135440 |
| 2 | 2s | 4.168803 | -.81264737 |
| 3 | 3s | 3.301117 | -.32193886 |
| 4 | 4s | 14.620338 | .01128069 |
| 5 | 3s | 18.236475 | .00235627 |
| 6 | 5s | 29.444475 | .00033843 |
| 7 | 5s | 2.426361 | -.00671445 |
| 8 | 4s | 2.767170 | .01274002 |
| 9 | 3s | 1.587393 | .00293762 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752987 | < R2 > | .677988 | < 1/R > | 1.927111 | < 1/R**2 > | 15.317685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337064 |
| 2 | 1s | 15.492983 | .08642330 |
| 3 | 2s | 5.346176 | .01503868 |
| 4 | 3s | 7.015178 | -.01793696 |
| 5 | 4s | 9.114823 | .01104906 |
| 6 | 5s | 25.940079 | .00104994 |
| 7 | 4s | 58.283007 | -.00005667 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611105 | < 1/R**2 > | 227.653295 |
Total Energy= -160.12493725 a.u.
Kinetic Energy= 160.12575864 a.u.
Potential Energy= -320.25069588 a.u.
Virial Ratio = -1.99999487