(1s 2 2s 2 2p 3 ) 2 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 2p- electron | |
| 1 | 2p | 1.435998 | .67869449 |
| 2 | 2p | 2.736677 | .36376580 |
| 3 | 2p | 6.433614 | .02184285 |
| 4 | 5p | 1.431744 | .04839627 |
| 5 | 4p | 1.397041 | -.01039951 |
| 6 | 5p | 7.215958 | .00667145 |
| 7 | 4p | 8.133555 | .00289014 |
| 8 | 3p | 3.438918 | -.02016910 |
| 9 | 5p | 39.341604 | .00001114 |
| ORB.ENERGY,a.u. | -.407920 | ||
| NORM | 1.000000 | < R > | 1.446621 | < R2 > | 2.707128 | < 1/R > | .942077 | < 1/R**2 > | 1.304235 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.845885 | .27523744 |
| 2 | 2s | 2.456267 | -.82540202 |
| 3 | 3s | 1.722245 | -.25793451 |
| 4 | 4s | 7.062990 | .02140262 |
| 5 | 3s | 8.297967 | .01665447 |
| 6 | 5s | 2.868273 | -.06248455 |
| 7 | 5s | 13.357685 | .00154998 |
| 8 | 3s | .966119 | -.00142542 |
| 9 | 4s | 33.943130 | -.00004725 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.326323 | < R2 > | 2.129413 | < 1/R > | 1.083178 | < 1/R**2 > | 4.797161 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.226679 | .71836184 |
| 2 | 1s | 9.302898 | .22539855 |
| 3 | 1s | 1.604298 | .00477521 |
| 4 | 2s | 6.882892 | .08442025 |
| 5 | 3s | 7.856668 | -.02147189 |
| 6 | 4s | 12.817213 | .00677098 |
| 7 | 5s | 29.453138 | .00013224 |
| 8 | 4s | 2.621979 | -.00132047 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228260 | < R2 > | .070236 | < 1/R > | 6.653879 | < 1/R**2 > | 89.854941 |
Total Energy= -54.39934056 a.u.
Kinetic Energy= 54.29617105 a.u.
Potential Energy= -108.69551160 a.u.
Virial Ratio = -2.00190013