(1s 2 2s 2 2p 2 4p 1 ) 2 S Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4.929924 | .20725640 |
| 2 | 3p | 1.347475 | -.50620816 |
| 3 | 5p | 1.477338 | 1.22222529 |
| 4 | 4p | 2.413606 | -.55793379 |
| 5 | 5p | 6.287536 | .03027941 |
| 6 | 4p | 15.076572 | -.00294228 |
| 7 | 5p | 1.786552 | .32114752 |
| 8 | 5p | 35.123295 | -.00025038 |
| 9 | 4p | 54.087356 | -.00004867 |
| 10 | 4p | .450570 | .00039295 |
| ORB.ENERGY,a.u. | -.936340 | ||
| NORM | 1.000000 | < R > | 3.845862 | < R2 > | 16.714507 | < 1/R > | .364688 | < 1/R**2 > | .383641 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.853658 | 1.21563145 |
| 2 | 3p | 4.681924 | -.24279911 |
| 3 | 2p | 10.364056 | .02404923 |
| 4 | 4p | 11.051328 | .00646850 |
| 5 | 5p | 23.479067 | -.00032133 |
| 6 | 5p | 1.929684 | -.00267197 |
| 7 | 4p | 2.014667 | .00383361 |
| ORB.ENERGY,a.u. | -5.980300 | ||
| NORM | 1.000000 | < R > | .613116 | < R2 > | .459631 | < 1/R > | 2.087102 | < 1/R**2 > | 5.984188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.993698 | .36377489 |
| 2 | 2s | 4.431582 | -.82549866 |
| 3 | 3s | 4.506738 | -.26834481 |
| 4 | 4s | 17.903505 | .00274819 |
| 5 | 3s | 10.657530 | .01905075 |
| 6 | 5s | 4.500990 | -.04476499 |
| 7 | 4s | 1.119836 | .00017599 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680390 | < R2 > | .544917 | < 1/R > | 2.133055 | < 1/R**2 > | 18.520935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.125455 | .89386614 |
| 2 | 1s | 15.384361 | .10654473 |
| 3 | 2s | 9.540058 | .01807749 |
| 4 | 3s | 11.716993 | -.01493503 |
| 5 | 5s | 26.568684 | .00131924 |
| 6 | 4s | 66.710275 | -.00003454 |
| 7 | 5s | 8.653773 | .00093658 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142199 | < R2 > | .027161 | < 1/R > | 10.637024 | < 1/R**2 > | 228.499897 |
Total Energy= -149.68397732 a.u.
Kinetic Energy= 149.70667802 a.u.
Potential Energy= -299.39065534 a.u.
Virial Ratio = -1.99984837