(1s 2 2s 2 2p 3 ) 4 S Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 6.601514 | 1.17788520 |
| 2 | 3p | 7.968699 | -.19613412 |
| 3 | 2p | 16.312550 | .01840844 |
| 4 | 4p | 18.527180 | .00315494 |
| 5 | 5p | 37.368606 | -.00026608 |
| 6 | 5p | 4.982805 | .00985792 |
| 7 | 4p | 4.448432 | -.01160539 |
| ORB.ENERGY,a.u. | -19.526000 | ||
| NORM | 1.000000 | < R > | .361176 | < R2 > | .158663 | < 1/R > | 3.519564 | < 1/R**2 > | 16.870826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.448682 | .41639590 |
| 2 | 2s | 7.352172 | -.86214195 |
| 3 | 3s | 7.242086 | -.28693020 |
| 4 | 4s | 28.572621 | .00188801 |
| 5 | 3s | 16.124383 | .01335689 |
| 6 | 5s | 7.213774 | -.01372494 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .412055 | < R2 > | .199252 | < 1/R > | 3.559160 | < 1/R**2 > | 51.545706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.045380 | .92494964 |
| 2 | 1s | 24.483685 | .07400498 |
| 3 | 2s | 15.344473 | .01957245 |
| 4 | 3s | 20.090310 | -.01463929 |
| 5 | 5s | 41.469455 | .00090906 |
| 6 | 4s | 17.649311 | -.00160535 |
| 7 | 5s | 14.092507 | .00105473 |
| 8 | 3s | 74.015282 | -.00004676 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090890 | < R2 > | .011078 | < 1/R > | 16.606451 | < 1/R**2 > | 555.400792 |
Total Energy= -400.66872836 a.u.
Kinetic Energy= 400.66873348 a.u.
Potential Energy= -801.33746183 a.u.
Virial Ratio = -1.99999999