(1s 2 2s 2 2p 1 3p 1 ) 1 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 3.784413 | .50211984 |
| 2 | 3p | 3.225680 | -1.39140639 |
| 3 | 2p | 10.385115 | .01218397 |
| 4 | 4p | 6.439744 | .02572189 |
| 5 | 5p | 18.574686 | .00101148 |
| ORB.ENERGY,a.u. | -5.099400 | ||
| NORM | 1.000000 | < R > | 1.246641 | < R2 > | 1.717284 | < 1/R > | .908806 | < 1/R**2 > | 1.069759 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.555438 | 1.03576264 |
| 2 | 3p | 3.014323 | -.32213524 |
| 3 | 2p | 9.797883 | .09307788 |
| 4 | 5p | 11.746481 | .00953647 |
| 5 | 4p | 21.888721 | -.00265260 |
| 6 | 5p | 3.002074 | .03297875 |
| 7 | 4p | 2.540704 | -.01578431 |
| 8 | 3p | 23.956394 | -.00104695 |
| ORB.ENERGY,a.u. | -13.822000 | ||
| NORM | 1.000000 | < R > | .411414 | < R2 > | .230959 | < 1/R > | 3.140564 | < 1/R**2 > | 13.190885 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.166161 | .36279301 |
| 2 | 2s | 5.168415 | -.80482880 |
| 3 | 3s | 7.608129 | -.28044342 |
| 4 | 4s | 26.432825 | .00131122 |
| 5 | 5s | 14.840728 | -.01153850 |
| 6 | 5s | 6.040476 | .01725406 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496389 | < R2 > | .288670 | < 1/R > | 2.949294 | < 1/R**2 > | 35.225516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.160957 | .92622485 |
| 2 | 1s | 20.323853 | .07387152 |
| 3 | 2s | 12.050213 | .01905390 |
| 4 | 3s | 15.015369 | -.01666493 |
| 5 | 4s | 72.826919 | -.00005600 |
| 6 | 5s | 32.253938 | .00094597 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110596 | < R2 > | .016393 | < 1/R > | 13.645163 | < 1/R**2 > | 375.089996 |
Total Energy= -243.67667146 a.u.
Kinetic Energy= 243.65307721 a.u.
Potential Energy= -487.32974867 a.u.
Virial Ratio = -2.00009684