(1s 2 2s 1 5p 1 ) 3 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.317325 | 2.71658406 |
| 2 | 3p | 1.768137 | -5.25846560 |
| 3 | 4p | 1.437794 | 7.81157907 |
| 4 | 5p | 1.422310 | -6.18956109 |
| 5 | 2p | 5.294979 | .06446688 |
| 6 | 5p | 6.351885 | .00537543 |
| 7 | 3p | 9.367115 | -.00486868 |
| 8 | 4p | 17.369969 | -.00023303 |
| ORB.ENERGY,a.u. | -1.018000 | ||
| NORM | 1.000000 | < R > | 5.020618 | < R2 > | 28.373945 | < 1/R > | .291358 | < 1/R**2 > | .298623 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.164764 | .39982989 |
| 2 | 2s | 4.104422 | -.86925304 |
| 3 | 3s | 4.844316 | -.25372087 |
| 4 | 4s | 11.921636 | .02677357 |
| 5 | 3s | 13.365930 | .00734163 |
| 6 | 5s | 8.564120 | -.01174950 |
| 7 | 5s | 14.590282 | -.00699460 |
| 8 | 4s | 1.597537 | .00139948 |
| 9 | 3s | 1.153593 | -.00129242 |
| ORB.ENERGY,a.u. | -8.507500 | ||
| NORM | 1.000000 | < R > | .688917 | < R2 > | .553521 | < 1/R > | 2.120447 | < 1/R**2 > | 18.152575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.168558 | .87502256 |
| 2 | 1s | 13.507739 | .12583313 |
| 3 | 2s | 6.617641 | .02661933 |
| 4 | 3s | 8.256253 | -.02865413 |
| 5 | 4s | 20.345999 | .00301919 |
| 6 | 5s | 10.651915 | .00274648 |
| 7 | 5s | 27.759738 | -.00041774 |
| 8 | 3s | 23.324119 | -.00048832 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156146 | < R2 > | .032698 | < 1/R > | 9.675632 | < 1/R**2 > | 188.934872 |
Total Energy= -103.64725697 a.u.
Kinetic Energy= 103.64876331 a.u.
Potential Energy= -207.29602028 a.u.
Virial Ratio = -1.99998547