(1s 2 2s 2 2p 4 4p 1 ) 4 S F 0
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 | 1.449420 | .08533172 |
| 2 | 3p | .304868 | -6.05026086 |
| 3 | 4p | .352439 | 7.93054099 |
| 4 | 5p | .409885 | -.89935905 |
| 5 | 2p | 3.843072 | .02638597 |
| 6 | 5p | .276267 | -.70663464 |
| 7 | 4p | .846854 | -.13004455 |
| 8 | 2p | 7.712870 | .00176080 |
| 9 | 5p | 11.383593 | .00079623 |
| ORB.ENERGY,a.u. | -.047286 | ||
| NORM | .999996 | < R > | 10.904495 | < R2 > | 156.677995 | < 1/R > | .136475 | < 1/R**2 > | .036311 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.210479 | .66685016 |
| 2 | 2p | 3.907452 | .31896399 |
| 3 | 2p | 9.947626 | .01617878 |
| 4 | 3p | 1.622923 | .05534083 |
| 5 | 4p | 9.237010 | .01596041 |
| 6 | 4p | .777210 | -.04292601 |
| 7 | 3p | 11.679833 | .00502988 |
| 8 | 5p | .924509 | .03369767 |
| 9 | 3p | .416876 | .00578311 |
| ORB.ENERGY,a.u. | -1.096300 | ||
| NORM | 1.000000 | < R > | .969552 | < R2 > | 1.194310 | < 1/R > | 1.378009 | < 1/R**2 > | 2.732574 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.459678 | .30428943 |
| 2 | 2s | 3.293204 | -.83964519 |
| 3 | 3s | 2.605859 | -.32132169 |
| 4 | 4s | 4.930946 | .03169470 |
| 5 | 3s | 8.548360 | .02783802 |
| 6 | 5s | 18.530579 | .00090952 |
| 7 | 5s | 2.233964 | -.00507048 |
| 8 | 3s | 31.648110 | -.00006166 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961277 | < R2 > | 1.109548 | < 1/R > | 1.502837 | < 1/R**2 > | 9.290430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231237 | .87186179 |
| 2 | 1s | 12.229623 | .12116278 |
| 3 | 1s | 9.934893 | .00279180 |
| 4 | 2s | 6.006160 | .01818438 |
| 5 | 3s | 8.212799 | -.00759018 |
| 6 | 4s | 17.125330 | .00294610 |
| 7 | 5s | 51.703285 | -.00004104 |
| 8 | 5s | 4.191366 | .00044814 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175672 | < R2 > | .041565 | < 1/R > | 8.632365 | < 1/R**2 > | 150.884983 |
Total Energy= -98.88077567 a.u.
Kinetic Energy= 98.92881895 a.u.
Potential Energy= -197.80959462 a.u.
Virial Ratio = -1.99951437