(1s 2 2s 2 2p 4 3p 1 ) 4 S Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 4.303666 | .33981609 |
| 2 | 3p | 2.295436 | -.86489286 |
| 3 | 4p | 2.805998 | -.22237387 |
| 4 | 2p | 8.319603 | .08841518 |
| 5 | 5p | 12.439632 | .00455466 |
| 6 | 5p | 32.414613 | -.00043293 |
| 7 | 4p | 48.763693 | -.00008124 |
| 8 | 5p | 2.374499 | -.01813121 |
| ORB.ENERGY,a.u. | -2.557500 | ||
| NORM | 1.000000 | < R > | 1.625823 | < R2 > | 3.013658 | < 1/R > | .818163 | < 1/R**2 > | 1.431320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.636251 | 1.21192417 |
| 2 | 3p | 5.413437 | -.28314417 |
| 3 | 2p | 10.774329 | .06733736 |
| 4 | 4p | 12.550998 | .01277756 |
| 5 | 5p | 33.680970 | -.00015252 |
| 6 | 5p | 2.111270 | -.00035226 |
| ORB.ENERGY,a.u. | -8.156300 | ||
| NORM | 1.000000 | < R > | .484786 | < R2 > | .289141 | < 1/R > | 2.657685 | < 1/R**2 > | 9.769266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.342873 | .37256532 |
| 2 | 2s | 5.735490 | -.83918528 |
| 3 | 3s | 5.177494 | -.29546218 |
| 4 | 4s | 16.399795 | .01014930 |
| 5 | 3s | 20.290271 | .00500768 |
| 6 | 5s | 28.522124 | .00086360 |
| 7 | 5s | 4.674463 | -.00687933 |
| 8 | 2s | 59.581404 | .00002320 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534704 | < R2 > | .337633 | < 1/R > | 2.727621 | < 1/R**2 > | 30.474189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.202933 | .91810295 |
| 2 | 1s | 19.503793 | .07889056 |
| 3 | 2s | 8.237899 | .01928304 |
| 4 | 3s | 10.114119 | -.01939983 |
| 5 | 4s | 12.391702 | .00945570 |
| 6 | 5s | 33.715572 | .00087520 |
| 7 | 4s | 77.353308 | -.00003771 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111190 | < R2 > | .016610 | < 1/R > | 13.599164 | < 1/R**2 > | 373.139319 |
Total Energy= -274.20467668 a.u.
Kinetic Energy= 274.17233986 a.u.
Potential Energy= -548.37701654 a.u.
Virial Ratio = -2.00011794