(1s 2 2s 2 2p 3 3s 1 ) 3 S P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 12.236059 | .15323822 |
| 2 | 2s | 4.304440 | -.82341337 |
| 3 | 3s | 3.108876 | 1.42358409 |
| 4 | 4s | 11.126474 | -.01650083 |
| 5 | 5s | 18.966238 | -.00326776 |
| 6 | 2s | 49.415263 | .00001483 |
| ORB.ENERGY,a.u. | -4.688000 | ||
| NORM | .999999 | < R > | 1.307961 | < R2 > | 1.922791 | < 1/R > | 1.043362 | < 1/R**2 > | 6.241622 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.738450 | 1.33099695 |
| 2 | 3p | 7.308860 | -.41941953 |
| 3 | 4p | 8.857585 | .08424570 |
| 4 | 5p | 26.196290 | -.00200124 |
| 5 | 4p | 3.683759 | .00918673 |
| 6 | 4p | 33.228611 | -.00107766 |
| 7 | 5p | 3.710104 | -.00551516 |
| 8 | 3p | 2.227861 | .00071323 |
| 9 | 3p | 44.199489 | -.00011284 |
| ORB.ENERGY,a.u. | -12.691000 | ||
| NORM | 1.000000 | < R > | .424482 | < R2 > | .219789 | < 1/R > | 3.005340 | < 1/R**2 > | 12.355233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.059743 | .35264537 |
| 2 | 2s | 5.434820 | -.80102259 |
| 3 | 3s | 8.503260 | -.25844811 |
| 4 | 4s | 24.544843 | .00323464 |
| 5 | 3s | 3.053412 | .02005404 |
| 6 | 5s | 8.023123 | -.03990435 |
| 7 | 2s | 39.470363 | -.00008431 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .474367 | < R2 > | .263593 | < 1/R > | 3.078311 | < 1/R**2 > | 38.557115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.181592 | .94229384 |
| 2 | 1s | 23.313479 | .05509865 |
| 3 | 2s | 16.107790 | .01726360 |
| 4 | 3s | 20.044821 | -.01351227 |
| 5 | 4s | 30.167207 | .00231009 |
| 6 | 5s | 3.993595 | -.00101323 |
| 7 | 5s | 13.648237 | .00256017 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103411 | < R2 > | .014354 | < 1/R > | 14.608198 | < 1/R**2 > | 430.175763 |
Total Energy= -310.12834790 a.u.
Kinetic Energy= 310.06825585 a.u.
Potential Energy= -620.19660375 a.u.
Virial Ratio = -2.00019380