(1s 2 2s 2 2p 1 5p 1 ) 1 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
1 | 2p | 5.325429 | .40378907 |
2 | 3p | 2.789958 | -3.60255963 |
3 | 4p | 2.457261 | 9.94646597 |
4 | 5p | 2.482751 | -7.34072531 |
5 | 2p | 10.651918 | .03247872 |
6 | 5p | 4.741586 | -.08231812 |
7 | 5p | 33.942469 | -.00055644 |
8 | 4p | 50.047359 | -.00012405 |
ORB.ENERGY,a.u. | -3.054400 |
NORM | 1.000005 | < R > | 2.872668 | < R2 > | 9.280812 | < 1/R > | .504088 | < 1/R**2 > | .881484 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.142528 | 1.07939457 |
2 | 3p | 8.602875 | -.09232339 |
3 | 2p | 17.453164 | .01241078 |
4 | 5p | 21.891546 | .00242581 |
5 | 5p | 6.628492 | .00105647 |
ORB.ENERGY,a.u. | -23.644000 |
NORM | 1.000000 | < R > | .342021 | < R2 > | .141431 | < 1/R > | 3.690220 | < 1/R**2 > | 18.391960 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.563531 | .38532541 |
2 | 2s | 6.573640 | -.81536726 |
3 | 3s | 9.423030 | -.28526648 |
4 | 4s | 31.705512 | .00122716 |
5 | 5s | 18.228209 | -.00905774 |
6 | 5s | 7.277120 | .01775194 |
ORB.ENERGY,a.u. | -23.265000 |
NORM | 1.000000 | < R > | .396128 | < R2 > | .183505 | < 1/R > | 3.712032 | < 1/R**2 > | 55.685574 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 16.194974 | .93668261 |
2 | 1s | 24.909639 | .06042501 |
3 | 2s | 14.957629 | .02009421 |
4 | 3s | 18.330493 | -.01477552 |
5 | 4s | 84.190774 | -.00005911 |
6 | 5s | 38.840619 | .00070673 |
7 | 4s | 6.742447 | .00002841 |
ORB.ENERGY,a.u. | -121.620000 |
NORM | 1.000000 | < R > | .090557 | < R2 > | .010980 | < 1/R > | 16.645793 | < 1/R**2 > | 557.449448 |
Total Energy= -362.45454288 a.u.
Kinetic Energy= 362.47435400 a.u.
Potential Energy= -724.92889689 a.u.
Virial Ratio = -1.99994534