(1s 2 2s 2 2p 3 3s 1 ) 3 S S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 12.890546 | .16341481 |
| 2 | 2s | 4.618088 | -.89294103 |
| 3 | 3s | 3.450124 | 1.47784428 |
| 4 | 4s | 11.358972 | -.01484339 |
| 5 | 5s | 19.811318 | -.00380683 |
| 6 | 3s | 112.411656 | .00000365 |
| 7 | 5s | 3.415366 | .00172607 |
| ORB.ENERGY,a.u. | -5.793200 | ||
| NORM | 1.000000 | < R > | 1.189699 | < R2 > | 1.591562 | < 1/R > | 1.155546 | < 1/R**2 > | 7.722958 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.266396 | 1.28943282 |
| 2 | 3p | 8.205852 | -.38378786 |
| 3 | 4p | 10.310281 | .08618522 |
| 4 | 5p | 20.119158 | .00418221 |
| 5 | 4p | 3.902701 | .00503147 |
| 6 | 4p | 21.353383 | .00043283 |
| 7 | 5p | 3.516942 | -.00409268 |
| 8 | 3p | 2.415062 | .00256308 |
| ORB.ENERGY,a.u. | -15.377000 | ||
| NORM | 1.000000 | < R > | .391014 | < R2 > | .186247 | < 1/R > | 3.257186 | < 1/R**2 > | 14.483167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.811378 | .36255243 |
| 2 | 2s | 5.955414 | -.80616058 |
| 3 | 3s | 8.987954 | -.25817653 |
| 4 | 4s | 26.356753 | .00306971 |
| 5 | 3s | 3.297213 | .01801715 |
| 6 | 5s | 8.418002 | -.03979615 |
| 7 | 2s | 45.119243 | -.00006091 |
| 8 | 4s | 2.190561 | -.00018288 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .439421 | < R2 > | .226062 | < 1/R > | 3.328799 | < 1/R**2 > | 45.057060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.185710 | .94515316 |
| 2 | 1s | 24.818963 | .05206290 |
| 3 | 2s | 16.513902 | .01755472 |
| 4 | 3s | 21.126469 | -.01364946 |
| 5 | 4s | 32.045567 | .00224918 |
| 6 | 5s | 4.422363 | -.00100458 |
| 7 | 5s | 14.464480 | .00229194 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096767 | < R2 > | .012564 | < 1/R > | 15.605362 | < 1/R**2 > | 490.693991 |
Total Energy= -357.25026705 a.u.
Kinetic Energy= 357.18217931 a.u.
Potential Energy= -714.43244636 a.u.
Virial Ratio = -2.00019062