(1s 2 2s 2 2p 2 5p 1 ) 4 D S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 4.600809 | .34362597 |
| 2 | 3p | 2.410699 | -3.30363752 |
| 3 | 4p | 2.166462 | 7.84278802 |
| 4 | 5p | 2.105511 | -5.46360600 |
| 5 | 2p | 9.383039 | .04924061 |
| 6 | 5p | 30.873358 | -.00061291 |
| 7 | 4p | 45.704825 | -.00013876 |
| 8 | 5p | 1.687356 | -.03477916 |
| ORB.ENERGY,a.u. | -2.165800 | ||
| NORM | 1.000000 | < R > | 3.374512 | < R2 > | 12.804321 | < 1/R > | .428105 | < 1/R**2 > | .647524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.299221 | 1.13789146 |
| 2 | 3p | 7.401559 | -.15988896 |
| 3 | 2p | 15.267815 | .02081642 |
| 4 | 4p | 17.228888 | .00568191 |
| 5 | 5p | 28.385480 | -.00040127 |
| 6 | 5p | 1.296820 | .00009381 |
| 7 | 4p | 6.232987 | -.00268331 |
| 8 | 3p | 45.528065 | .00004429 |
| ORB.ENERGY,a.u. | -18.151000 | ||
| NORM | 1.000000 | < R > | .378204 | < R2 > | .173583 | < 1/R > | 3.352228 | < 1/R**2 > | 15.259292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.625169 | .42188397 |
| 2 | 2s | 6.969696 | -.86290496 |
| 3 | 3s | 7.115892 | -.28390838 |
| 4 | 4s | 26.897900 | .00205379 |
| 5 | 3s | 14.894854 | .01724933 |
| 6 | 5s | 7.163405 | -.02224977 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433319 | < R2 > | .220042 | < 1/R > | 3.384097 | < 1/R**2 > | 46.471169 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111751 | .92673028 |
| 2 | 1s | 23.114076 | .07200699 |
| 3 | 2s | 14.108356 | .01948791 |
| 4 | 3s | 17.755456 | -.01558694 |
| 5 | 5s | 37.632230 | .00090214 |
| 6 | 4s | 89.378107 | -.00003635 |
| 7 | 5s | 11.943440 | .00035221 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096564 | < R2 > | .012499 | < 1/R > | 15.626142 | < 1/R**2 > | 491.709772 |
Total Energy= -337.08078313 a.u.
Kinetic Energy= 337.09303836 a.u.
Potential Energy= -674.17382149 a.u.
Virial Ratio = -1.99996364