(1s 2 2s 2 2p 4 4p 1 ) 4 S Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 3.168469 | .12745836 |
| 2 | 3p | .656397 | -1.66059517 |
| 3 | 4p | .655183 | 2.11286807 |
| 4 | 5p | 1.727668 | -.09060534 |
| 5 | 2p | 7.624290 | .00678782 |
| 6 | 5p | 5.859915 | -.01031786 |
| 7 | 3p | 4.884625 | -.00955850 |
| 8 | 5p | .579242 | .19012587 |
| 9 | 4p | 20.217964 | -.00008199 |
| ORB.ENERGY,a.u. | -.172040 | ||
| NORM | 1.000001 | < R > | 8.285955 | < R2 > | 77.744657 | < 1/R > | .162738 | < 1/R**2 > | .074405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.608576 | .65637888 |
| 2 | 2p | 4.384378 | .39663636 |
| 3 | 2p | 11.082968 | .01196781 |
| 4 | 3p | 1.443954 | .05274688 |
| 5 | 4p | 6.489009 | -.03695832 |
| 6 | 4p | 1.602047 | -.03700843 |
| 7 | 3p | 6.541227 | .00395225 |
| 8 | 5p | .630878 | .00135173 |
| 9 | 5p | 54.040569 | .00001555 |
| ORB.ENERGY,a.u. | -2.072900 | ||
| NORM | 1.000000 | < R > | .804611 | < R2 > | .812643 | < 1/R > | 1.638522 | < 1/R**2 > | 3.809909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313876 | .31804237 |
| 2 | 2s | 3.745901 | -.82158958 |
| 3 | 3s | 3.028200 | -.30569761 |
| 4 | 4s | 13.032379 | .01360416 |
| 5 | 3s | 16.633892 | .00279112 |
| 6 | 5s | 25.679808 | .00050219 |
| 7 | 5s | 1.997979 | -.01055701 |
| 8 | 3s | 1.542355 | .01506191 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828664 | < R2 > | .819437 | < 1/R > | 1.745862 | < 1/R**2 > | 12.527110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241761 | .89834643 |
| 2 | 1s | 13.943526 | .09841695 |
| 3 | 1s | 14.237474 | .00057800 |
| 4 | 2s | 6.911422 | .01559326 |
| 5 | 3s | 10.790831 | -.00728294 |
| 6 | 4s | 18.614656 | .00283949 |
| 7 | 5s | 61.036674 | -.00003564 |
| 8 | 5s | 5.253112 | .00052883 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157459 | < R2 > | .033374 | < 1/R > | 9.623996 | < 1/R**2 > | 187.368322 |
Total Energy= -126.54693823 a.u.
Kinetic Energy= 126.54414866 a.u.
Potential Energy= -253.09108689 a.u.
Virial Ratio = -2.00002204