(1s 2 2s 2 2p 3 4s 1 ) 3 S P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 12.237792 | .09614070 |
| 2 | 2s | 2.915302 | -1.36584823 |
| 3 | 3s | 2.816602 | 2.98093257 |
| 4 | 4s | 2.207127 | -2.06707390 |
| 5 | 5s | 4.073733 | -.18424462 |
| 6 | 4s | 13.260704 | -.00968375 |
| 7 | 5s | 27.749134 | .00018103 |
| 8 | 2s | 87.327331 | .00000266 |
| ORB.ENERGY,a.u. | -2.439900 | ||
| NORM | .999999 | < R > | 2.475827 | < R2 > | 6.879472 | < 1/R > | .567481 | < 1/R**2 > | 2.459592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.747240 | 1.32999454 |
| 2 | 3p | 7.308202 | -.41659577 |
| 3 | 4p | 8.877683 | .08264061 |
| 4 | 5p | 25.345539 | -.00212576 |
| 5 | 4p | 3.736334 | .00911242 |
| 6 | 4p | 32.058736 | -.00124892 |
| 7 | 5p | 3.892645 | -.00503579 |
| 8 | 3p | 1.879789 | .00019825 |
| 9 | 3p | 42.800337 | -.00013159 |
| ORB.ENERGY,a.u. | -13.147000 | ||
| NORM | 1.000000 | < R > | .423454 | < R2 > | .218681 | < 1/R > | 3.011674 | < 1/R**2 > | 12.402187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.149492 | .39136239 |
| 2 | 2s | 6.149408 | -.88791161 |
| 3 | 3s | 5.909610 | -.29866171 |
| 4 | 4s | 6.752957 | .05124123 |
| 5 | 3s | 16.455789 | .01455085 |
| 6 | 5s | 2.457179 | -.01389987 |
| 7 | 2s | 42.192703 | .00011937 |
| 8 | 3s | 2.188619 | .00995656 |
| 9 | 4s | 57.498009 | -.00003075 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .477325 | < R2 > | .267959 | < 1/R > | 3.064038 | < 1/R**2 > | 38.252706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.177988 | .93088958 |
| 2 | 1s | 21.847051 | .06695527 |
| 3 | 2s | 12.468117 | .01871745 |
| 4 | 3s | 17.707174 | -.01464419 |
| 5 | 4s | 27.407371 | .00292916 |
| 6 | 5s | 51.543752 | .00010065 |
| 7 | 5s | 9.917983 | .00068554 |
| 8 | 4s | 2.147824 | .00117582 |
| 9 | 3s | 2.571774 | -.00100870 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103390 | < R2 > | .014347 | < 1/R > | 14.610108 | < 1/R**2 > | 430.263943 |
Total Energy= -307.84715781 a.u.
Kinetic Energy= 307.82656582 a.u.
Potential Energy= -615.67372363 a.u.
Virial Ratio = -2.00006689