(1s 2 2s 2 2p 3 4s 1 ) 3 S O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 7.807032 | .01778997 |
| 2 | 2s | .586447 | -.50917070 |
| 3 | 3s | .719052 | 1.31237954 |
| 4 | 4s | .379590 | -1.14764110 |
| 5 | 5s | 1.074025 | -.21339690 |
| 6 | 4s | 4.565635 | -.10930472 |
| 7 | 5s | 5.396473 | .06239133 |
| 8 | 4s | 11.605202 | -.00324317 |
| 9 | 5s | 29.633809 | -.00023983 |
| 10 | 4s | 48.066096 | -.00004347 |
| ORB.ENERGY,a.u. | -.060806 | ||
| NORM | 1.000001 | < R > | 12.422029 | < R2 > | 174.428000 | < 1/R > | .105217 | < 1/R**2 > | .053857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.023318 | .72168791 |
| 2 | 2p | 3.534576 | .28572081 |
| 3 | 2p | 7.589441 | .02040015 |
| 4 | 3p | 1.154545 | -.00389565 |
| 5 | 4p | 1.771470 | .03334243 |
| 6 | 5p | 9.675464 | .00388842 |
| 7 | 5p | .733676 | .00027282 |
| ORB.ENERGY,a.u. | -1.132900 | ||
| NORM | 1.000000 | < R > | 1.078442 | < R2 > | 1.461803 | < 1/R > | 1.225117 | < 1/R**2 > | 2.138344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.955165 | .27851276 |
| 2 | 2s | 2.898458 | -.79116822 |
| 3 | 3s | 2.305842 | -.32694354 |
| 4 | 4s | 9.698304 | .02452737 |
| 5 | 3s | 12.169743 | .01489702 |
| 6 | 5s | .448980 | -.00795257 |
| 7 | 4s | .792446 | .00279855 |
| 8 | 2s | 18.995826 | .00133361 |
| 9 | 3s | 71.529322 | -.00000181 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.088582 | < R2 > | 1.425747 | < 1/R > | 1.320785 | < 1/R**2 > | 7.135598 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.125529 | .84595653 |
| 2 | 1s | 10.477224 | .16193197 |
| 3 | 3s | 4.636283 | .00341141 |
| 4 | 4s | 15.284900 | .00446646 |
| 5 | 2s | 6.861612 | -.00663407 |
| 6 | 5s | .540272 | .00106521 |
| 7 | 3s | 35.738164 | -.00000983 |
| 8 | 4s | .498392 | -.00088680 |
| 9 | 3s | 1.525467 | .00007576 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198489 | < R2 > | .053085 | < 1/R > | 7.644280 | < 1/R**2 > | 118.429784 |
Total Energy= -74.43478266 a.u.
Kinetic Energy= 74.43339129 a.u.
Potential Energy= -148.86817396 a.u.
Virial Ratio = -2.00001869