(1s 2 2s 2 2p 6 3s 2 5s 1 ) 2 S P 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 5s | .809461 | 1.13776300 |
| 2 | 3s | 7.833664 | .07560205 |
| 3 | 4s | 11.015156 | -.01063025 |
| 4 | 3s | .706676 | 1.11014972 |
| 5 | 1s | 9.094318 | .04869874 |
| 6 | 2s | 5.400145 | -.20216840 |
| 7 | 3s | 2.113641 | .37188974 |
| 8 | 4s | 1.085308 | -2.00983422 |
| ORB.ENERGY,a.u. | -.301200 | ||
| NORM | 1.000000 | < R > | 7.551954 | < R2 > | 63.664828 | < 1/R > | .178520 | < 1/R**2 > | .280041 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.248264 | 2.35388638 |
| 2 | 1s | 19.133195 | .01916994 |
| 3 | 2s | 5.214666 | -1.19118003 |
| 4 | 3s | 1.456958 | -.32627119 |
| 5 | 4s | 4.181111 | -.51021367 |
| 6 | 5s | 6.776739 | -.15376031 |
| 7 | 4s | 36.966799 | -.00185923 |
| 8 | 2s | .256495 | -.00039979 |
| 9 | 3s | 27.906600 | .00606821 |
| 10 | 2s | 55.093662 | .00032486 |
| ORB.ENERGY,a.u. | -1.571700 | ||
| NORM | 1.000000 | < R > | 1.698455 | < R2 > | 3.284899 | < 1/R > | .791433 | < 1/R**2 > | 3.592294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.144871 | .45335172 |
| 2 | 3p | 6.276229 | .49837755 |
| 3 | 4p | 5.021873 | .15202266 |
| 4 | 5p | 3.722696 | .00547154 |
| 5 | 2p | 17.646724 | .00435267 |
| 6 | 5p | 35.206677 | -.00018270 |
| 7 | 4p | 108.585519 | .00000420 |
| 8 | 3p | 225.288783 | .00000042 |
| ORB.ENERGY,a.u. | -6.198300 | ||
| NORM | 1.000000 | < R > | .482177 | < R2 > | .290056 | < 1/R > | 2.711301 | < 1/R**2 > | 10.316608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.235124 | .35901555 |
| 2 | 2s | 5.459763 | -.77337713 |
| 3 | 3s | 4.840470 | -.17028273 |
| 4 | 4s | 19.334423 | .00600319 |
| 5 | 2s | 6.611585 | -.17881363 |
| 6 | 3s | 21.010261 | .00367880 |
| 7 | 5s | 35.719540 | .00022104 |
| 8 | 4s | 3.621721 | -.00075187 |
| 9 | 2s | 61.803710 | .00001268 |
| ORB.ENERGY,a.u. | -8.262700 | ||
| NORM | 1.000000 | < R > | .513872 | < R2 > | .313428 | < 1/R > | 2.840890 | < 1/R**2 > | 33.253132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.570296 | 1.01435028 |
| 2 | 2s | 20.439575 | -.02220008 |
| 3 | 3s | 10.614110 | .01918816 |
| 4 | 4s | 58.615458 | -.00051480 |
| 5 | 4s | 10.097697 | .00282920 |
| 6 | 5s | 74.489149 | .00018908 |
| 7 | 5s | 12.475978 | -.00816688 |
| 8 | 2s | 2.731626 | -.00010183 |
| 9 | 2s | 3.257508 | .00023787 |
| 10 | 3s | 122.757472 | -.00000980 |
| ORB.ENERGY,a.u. | -80.167000 |
| NORM | 1.000000 | < R > | .103786 | < R2 > | .014482 | < 1/R > | 14.575203 | < 1/R**2 > | 428.680663 |
Total Energy= -338.86425091 a.u.
Kinetic Energy= 338.86424607 a.u.
Potential Energy= -677.72849698 a.u.
Virial Ratio = -2.00000001