(1s 2 2s 2 2p 4 4p 1 ) 4 S S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 7.799547 | .18862112 |
| 2 | 3p | 1.724881 | 2.20555720 |
| 3 | 4p | 3.221092 | -1.63464626 |
| 4 | 5p | 5.770472 | -.16344803 |
| 5 | 3p | 16.669545 | -.00200155 |
| 6 | 5p | 1.619417 | -.24356033 |
| 7 | 4p | 1.150386 | .07880778 |
| 8 | 4p | .525601 | -.03779898 |
| 9 | 5p | 90.775464 | .00000298 |
| 10 | 5p | .583955 | .03093821 |
| ORB.ENERGY,a.u. | -2.305700 | ||
| NORM | .999998 | < R > | 2.493010 | < R2 > | 7.027984 | < 1/R > | .564304 | < 1/R**2 > | .917272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.631304 | 1.12146018 |
| 2 | 3p | 6.475162 | -.19816582 |
| 3 | 2p | 12.203015 | .07226465 |
| 4 | 4p | 14.048818 | .01713788 |
| 5 | 5p | 2.061276 | .00069793 |
| 6 | 5p | 16.238522 | -.00192064 |
| 7 | 4p | 64.813495 | .00002379 |
| ORB.ENERGY,a.u. | -13.296000 | ||
| NORM | 1.000000 | < R > | .404846 | < R2 > | .200739 | < 1/R > | 3.165309 | < 1/R**2 > | 13.770054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.784095 | .39524980 |
| 2 | 2s | 6.763487 | -.85094597 |
| 3 | 3s | 6.226628 | -.29854231 |
| 4 | 4s | 17.071868 | .00647021 |
| 5 | 3s | 19.077842 | .00845939 |
| 6 | 5s | 33.877854 | .00051926 |
| 7 | 5s | 5.273837 | -.00496587 |
| 8 | 4s | 3.743688 | .00199464 |
| 9 | 2s | 69.370227 | .00001557 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452839 | < R2 > | .241422 | < 1/R > | 3.230596 | < 1/R**2 > | 42.654291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.163673 | .91846209 |
| 2 | 1s | 22.041064 | .07818626 |
| 3 | 2s | 9.724539 | .01980413 |
| 4 | 3s | 11.837896 | -.01991552 |
| 5 | 4s | 14.324264 | .00908581 |
| 6 | 5s | 38.987186 | .00077727 |
| 7 | 4s | 90.225603 | -.00002995 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096891 | < R2 > | .012603 | < 1/R > | 15.592528 | < 1/R**2 > | 490.072039 |
Total Energy= -367.58192318 a.u.
Kinetic Energy= 367.56606019 a.u.
Potential Energy= -735.14798337 a.u.
Virial Ratio = -2.00004316