(1s 2 2s 1 4p 1 ) 3 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 1.836023 | 2.40849685 |
| 2 | 3p | 2.279976 | -3.53252658 |
| 3 | 4p | 1.761200 | 2.26916763 |
| 4 | 5p | 2.416714 | -.69036089 |
| 5 | 2p | 10.350471 | .00684120 |
| 6 | 5p | 7.199784 | -.01315461 |
| 7 | 3p | 22.943049 | .00003881 |
| ORB.ENERGY,a.u. | -1.607200 | ||
| NORM | 1.000001 | < R > | 3.130257 | < R2 > | 11.108959 | < 1/R > | .460307 | < 1/R**2 > | .592753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.100295 | .40396075 |
| 2 | 2s | 4.137640 | -.88040316 |
| 3 | 3s | 4.866905 | -.25838377 |
| 4 | 4s | 12.298385 | .04418818 |
| 5 | 5s | 14.774718 | -.01315984 |
| 6 | 3s | 18.281811 | .00288333 |
| 7 | 5s | 2.878331 | .00360244 |
| 8 | 4s | 3.319815 | -.00949071 |
| ORB.ENERGY,a.u. | -8.365000 | ||
| NORM | 1.000000 | < R > | .689975 | < R2 > | .555338 | < 1/R > | 2.117064 | < 1/R**2 > | 18.098722 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.169209 | .87901910 |
| 2 | 1s | 13.688377 | .12106647 |
| 3 | 2s | 7.583407 | .02464751 |
| 4 | 3s | 9.101135 | -.02554084 |
| 5 | 4s | 18.226997 | .00290005 |
| 6 | 5s | 11.042114 | .00172338 |
| 7 | 5s | 59.901753 | -.00004452 |
| 8 | 3s | 3.808388 | .00025481 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156166 | < R2 > | .032707 | < 1/R > | 9.674770 | < 1/R**2 > | 188.908119 |
Total Energy= -104.23454441 a.u.
Kinetic Energy= 104.23776654 a.u.
Potential Energy= -208.47231095 a.u.
Virial Ratio = -1.99996909