(1s 2 2s 2 2p 4 3p 1 ) 4 S Ne +
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 | 3p | .959991 | -.96712564 |
| 2 | 2p | 2.286472 | .20271389 |
| 3 | 2p | 6.059840 | .04389690 |
| 4 | 4p | 7.497162 | .01017326 |
| 5 | 5p | .943288 | -.08606744 |
| 6 | 5p | 3.952147 | -.02911102 |
| 7 | 3p | 19.535294 | -.00002072 |
| ORB.ENERGY,a.u. | -.349500 | ||
| NORM | 1.000000 | < R > | 3.889045 | < R2 > | 17.267349 | < 1/R > | .321788 | < 1/R**2 > | .209057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.639259 | .68287107 |
| 2 | 2p | 4.541206 | .36501565 |
| 3 | 2p | 11.207465 | .01020400 |
| 4 | 3p | 1.871909 | .02271769 |
| 5 | 4p | 6.716141 | -.02630415 |
| 6 | 4p | 1.278378 | -.00417056 |
| 7 | 5p | 22.529505 | -.00018657 |
| ORB.ENERGY,a.u. | -1.886300 | ||
| NORM | 1.000000 | < R > | .804507 | < R2 > | .812022 | < 1/R > | 1.638404 | < 1/R**2 > | 3.809088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.316963 | .31755915 |
| 2 | 2s | 3.733097 | -.82568063 |
| 3 | 3s | 3.014917 | -.30056512 |
| 4 | 4s | 12.824547 | .01179684 |
| 5 | 3s | 14.312001 | .00444147 |
| 6 | 5s | 27.106868 | .00029700 |
| 7 | 5s | 1.992824 | -.00964701 |
| 8 | 3s | 1.572317 | .01354103 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .829554 | < R2 > | .821478 | < 1/R > | 1.744177 | < 1/R**2 > | 12.504890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241560 | .89835184 |
| 2 | 1s | 13.942274 | .09840416 |
| 3 | 1s | 14.578896 | .00058089 |
| 4 | 2s | 6.913648 | .01558600 |
| 5 | 3s | 10.817493 | -.00726234 |
| 6 | 4s | 18.621300 | .00284217 |
| 7 | 5s | 61.005480 | -.00003550 |
| 8 | 5s | 5.305518 | .00053476 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157466 | < R2 > | .033377 | < 1/R > | 9.623726 | < 1/R**2 > | 187.360245 |
Total Energy= -126.73087874 a.u.
Kinetic Energy= 126.72159674 a.u.
Potential Energy= -253.45247548 a.u.
Virial Ratio = -2.00007325