(1s 2 2s 2 2p 3 4p 1 ) 5 P O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 4p- electron | |
| 1 | 2p | 1.911547 | .05779904 |
| 2 | 3p | .579351 | -.61684786 |
| 3 | 4p | .326302 | 1.44773581 |
| 4 | 5p | .551514 | -.19947112 |
| 5 | 2p | 4.434155 | .02037764 |
| 6 | 5p | .365428 | -.14716376 |
| 7 | 4p | 4.722195 | .00778501 |
| 8 | 3p | 9.567255 | -.00031856 |
| ORB.ENERGY,a.u. | -.048037 | ||
| NORM | .999999 | < R > | 14.748145 | < R2 > | 247.216872 | < 1/R > | .091048 | < 1/R**2 > | .022328 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.018857 | .72084653 |
| 2 | 2p | 3.530966 | .28812510 |
| 3 | 2p | 7.599074 | .02030119 |
| 4 | 3p | 1.155404 | -.00325820 |
| 5 | 4p | 1.747618 | .03132995 |
| 6 | 5p | 9.679606 | .00383388 |
| ORB.ENERGY,a.u. | -1.148600 | ||
| NORM | 1.000000 | < R > | 1.078247 | < R2 > | 1.461519 | < 1/R > | 1.225420 | < 1/R**2 > | 2.139372 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.734223 | .29206186 |
| 2 | 2s | 2.837560 | -.83187730 |
| 3 | 3s | 2.163572 | -.30007149 |
| 4 | 3s | 9.203351 | .01504288 |
| 5 | 4s | 9.540233 | .00777990 |
| 6 | 5s | 2.174799 | .03189133 |
| 7 | 5s | 37.284993 | -.00005760 |
| 8 | 4s | 1.603337 | -.01416358 |
| 9 | 3s | .951853 | .00175015 |
| 10 | 2s | 57.809501 | .00000469 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089634 | < R2 > | 1.422326 | < 1/R > | 1.319460 | < 1/R**2 > | 7.123236 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.126826 | .84464066 |
| 2 | 1s | 10.454157 | .16307787 |
| 3 | 2s | 7.216467 | -.00622426 |
| 4 | 3s | 4.509700 | .00310197 |
| 5 | 4s | 15.358080 | .00469319 |
| 6 | 5s | 37.565708 | .00003673 |
| 7 | 3s | 16.035181 | -.00016113 |
| 8 | 5s | 2.116342 | .00006682 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198489 | < R2 > | .053074 | < 1/R > | 7.644278 | < 1/R**2 > | 118.429779 |
Total Energy= -74.41957593 a.u.
Kinetic Energy= 74.42064204 a.u.
Potential Energy= -148.84021797 a.u.
Virial Ratio = -1.99998567