(1s 2 2s 2 2p 4 4p 1 ) 2 S Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 3.110876 | .11751404 |
| 2 | 3p | .651087 | -1.72736798 |
| 3 | 4p | .657999 | 2.15605917 |
| 4 | 5p | 1.728167 | -.08754151 |
| 5 | 2p | 7.551612 | .00875645 |
| 6 | 5p | 5.999310 | -.01063706 |
| 7 | 5p | .584460 | .21618828 |
| 8 | 3p | 15.058186 | -.00009136 |
| ORB.ENERGY,a.u. | -.172040 | ||
| NORM | 1.000001 | < R > | 8.285968 | < R2 > | 77.745252 | < 1/R > | .162738 | < 1/R**2 > | .074405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.657808 | .67072207 |
| 2 | 2p | 4.477648 | .35633498 |
| 3 | 2p | 11.072147 | .01282664 |
| 4 | 3p | 1.931815 | .03877748 |
| 5 | 4p | 6.744328 | -.03013259 |
| 6 | 4p | 1.814113 | -.00967570 |
| 7 | 3p | 6.790603 | .01338611 |
| 8 | 5p | .651066 | .00142496 |
| 9 | 5p | 52.411760 | .00001722 |
| ORB.ENERGY,a.u. | -2.072900 | ||
| NORM | 1.000000 | < R > | .804611 | < R2 > | .812640 | < 1/R > | 1.638522 | < 1/R**2 > | 3.809910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.314715 | .31799442 |
| 2 | 2s | 3.745453 | -.82151158 |
| 3 | 3s | 3.028572 | -.30571303 |
| 4 | 4s | 13.089801 | .01373941 |
| 5 | 3s | 17.061673 | .00257189 |
| 6 | 5s | 25.696383 | .00053645 |
| 7 | 5s | 2.015784 | -.01036762 |
| 8 | 3s | 1.561008 | .01494366 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828664 | < R2 > | .819437 | < 1/R > | 1.745862 | < 1/R**2 > | 12.527109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.239618 | .89784454 |
| 2 | 1s | 13.932942 | .09960474 |
| 3 | 1s | 5.341570 | -.00016312 |
| 4 | 2s | 6.937272 | .01556180 |
| 5 | 3s | 10.857363 | -.00726341 |
| 6 | 4s | 18.659468 | .00288946 |
| 7 | 5s | 60.879599 | -.00003331 |
| 8 | 5s | 5.378633 | .00056675 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157459 | < R2 > | .033374 | < 1/R > | 9.623996 | < 1/R**2 > | 187.368308 |
Total Energy= -126.54693781 a.u.
Kinetic Energy= 126.54414061 a.u.
Potential Energy= -253.09107842 a.u.
Virial Ratio = -2.00002210