(1s 2 2s 2 2p 4 4p 1 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 7.765707 | .16543039 |
| 2 | 3p | 1.782053 | 2.37799654 |
| 3 | 4p | 3.116681 | -1.88051511 |
| 4 | 5p | 5.562283 | -.19464800 |
| 5 | 3p | 13.811430 | -.00347831 |
| 6 | 5p | 1.523764 | -.12163781 |
| 7 | 4p | 1.044668 | .05093572 |
| 8 | 5p | 47.298840 | -.00003935 |
| 9 | 3p | .368881 | -.03020411 |
| 10 | 5p | .498141 | .02330463 |
| ORB.ENERGY,a.u. | -2.269100 | ||
| NORM | .999999 | < R > | 2.537638 | < R2 > | 7.274084 | < 1/R > | .539984 | < 1/R**2 > | .773546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.876794 | 1.23891819 |
| 2 | 3p | 7.295825 | -.26014437 |
| 3 | 2p | 17.903401 | .01354810 |
| 4 | 4p | 18.586276 | .01001415 |
| 5 | 5p | 2.353948 | .01892692 |
| 6 | 4p | 2.724003 | -.01015119 |
| 7 | 3p | 24.909762 | .00211902 |
| ORB.ENERGY,a.u. | -13.260000 | ||
| NORM | 1.000000 | < R > | .404105 | < R2 > | .200533 | < 1/R > | 3.169911 | < 1/R**2 > | 13.800226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.787066 | .39512600 |
| 2 | 2s | 6.762967 | -.85064433 |
| 3 | 3s | 6.229952 | -.29866174 |
| 4 | 4s | 17.139428 | .00685645 |
| 5 | 3s | 19.376646 | .00810550 |
| 6 | 5s | 33.551254 | .00053856 |
| 7 | 5s | 5.290935 | -.00511143 |
| 8 | 4s | 3.838087 | .00204885 |
| 9 | 2s | 68.413276 | .00001703 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452820 | < R2 > | .241400 | < 1/R > | 3.230716 | < 1/R**2 > | 42.657112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.163853 | .91848942 |
| 2 | 1s | 22.042925 | .07815349 |
| 3 | 2s | 9.716761 | .01984979 |
| 4 | 3s | 11.829203 | -.01993302 |
| 5 | 4s | 14.320148 | .00906794 |
| 6 | 5s | 39.141917 | .00076856 |
| 7 | 4s | 89.082867 | -.00002980 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096891 | < R2 > | .012603 | < 1/R > | 15.592572 | < 1/R**2 > | 490.074487 |
Total Energy= -367.57556575 a.u.
Kinetic Energy= 367.52958578 a.u.
Potential Energy= -735.10515152 a.u.
Virial Ratio = -2.00012511