(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 S Cl 2+
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 | .749882 | .65034466 |
| 2 | 5p | 1.352255 | .58508085 |
| 3 | 4p | 3.824372 | -.32981895 |
| 4 | 2p | 7.364670 | .11699382 |
| 5 | 5p | 2.870916 | -.34300832 |
| 6 | 3p | 10.084651 | -.01560944 |
| 7 | 4p | 32.137286 | -.00015940 |
| 8 | 3p | .659175 | -.04778798 |
| ORB.ENERGY,a.u. | -.721970 | ||
| NORM | 1.000000 | < R > | 4.042677 | < R2 > | 18.299307 | < 1/R > | .322070 | < 1/R**2 > | .297504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.994773 | .34839947 |
| 2 | 2p | 1.422961 | -.90645017 |
| 3 | 3p | 2.604668 | -.41135341 |
| 4 | 2p | 9.623264 | .09253592 |
| 5 | 4p | 1.725816 | .25567904 |
| 6 | 3p | 14.788407 | -.00341349 |
| 7 | 4p | 33.025346 | -.00020755 |
| 8 | 5p | .572907 | -.00015108 |
| 9 | 3p | 56.709940 | -.00000895 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.531946 | < R2 > | 2.712301 | < 1/R > | .871817 | < 1/R**2 > | 1.672343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.477519 | -.32401715 |
| 2 | 1s | 12.238032 | .19792607 |
| 3 | 1s | 59.571638 | .00009984 |
| 4 | 2s | 5.724471 | -.22102729 |
| 5 | 3s | 2.604918 | .98797855 |
| 6 | 4s | 4.618480 | .14610305 |
| 7 | 3s | 36.113820 | -.00056117 |
| 8 | 5s | 2.307569 | .04099059 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.416574 | < R2 > | 2.292319 | < 1/R > | .960506 | < 1/R**2 > | 5.389081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.959867 | .41284008 |
| 2 | 3p | 7.908575 | .49231265 |
| 3 | 4p | 6.543440 | .18801175 |
| 4 | 5p | 5.317469 | .01831080 |
| 5 | 5p | 34.689493 | -.00020405 |
| 6 | 3p | 2.516320 | .00149879 |
| 7 | 2p | 24.078213 | .00153354 |
| 8 | 4p | 89.610880 | .00000619 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404897 | < R2 > | .203323 | < 1/R > | 3.206126 | < 1/R**2 > | 14.312601 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753773 | .37584985 |
| 2 | 2s | 6.936443 | -.76837502 |
| 3 | 3s | 6.414592 | -.16216672 |
| 4 | 4s | 26.607590 | .00171982 |
| 5 | 2s | 4.894239 | -.19784147 |
| 6 | 3s | 17.870594 | .00648422 |
| 7 | 4s | 3.226997 | -.00060870 |
| 8 | 5s | 45.041229 | .00012281 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440662 | < R2 > | .229930 | < 1/R > | 3.321744 | < 1/R**2 > | 45.389974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578352 | 1.01107967 |
| 2 | 2s | 20.682348 | -.01844402 |
| 3 | 3s | 15.065489 | .01706518 |
| 4 | 4s | 62.009645 | -.00038840 |
| 5 | 4s | 8.159876 | .00129692 |
| 6 | 5s | 80.166588 | .00011152 |
| 7 | 5s | 8.295940 | -.00056665 |
| 8 | 2s | 28.465502 | -.00340468 |
| 9 | 2s | 160.421946 | .00000234 |
| 10 | 3s | 1.914713 | -.00000772 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561104 | < 1/R**2 > | 553.051967 |
Total Energy= -457.29750532 a.u.
Kinetic Energy= 457.32997027 a.u.
Potential Energy= -914.62747559 a.u.
Virial Ratio = -1.99992901