(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 P P +
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 | 5p | 1.814018 | -.07656668 |
| 2 | 4p | .795518 | 1.02991113 |
| 3 | 5p | .549084 | -1.38919768 |
| 4 | 3p | 1.945640 | -.13903261 |
| 5 | 2p | 9.478294 | .00657315 |
| 6 | 2p | 4.525125 | .03076491 |
| 7 | 4p | 11.929402 | .00102921 |
| ORB.ENERGY,a.u. | -.133860 | ||
| NORM | .999999 | < R > | 10.882518 | < R2 > | 132.164518 | < 1/R > | .113670 | < 1/R**2 > | .027152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.188408 | .28455414 |
| 2 | 2p | 1.224355 | -.57695225 |
| 3 | 3p | 1.921412 | -.54175462 |
| 4 | 2p | 8.246395 | .08944316 |
| 5 | 3p | 12.895878 | -.00401970 |
| 6 | 4p | .961178 | .10126431 |
| 7 | 5p | .532109 | -.10231728 |
| 8 | 4p | 29.414000 | -.00015566 |
| 9 | 3p | .335996 | .00991310 |
| 10 | 5p | 97.667036 | -.00000213 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.994954 | < R2 > | 5.070349 | < 1/R > | .673611 | < 1/R**2 > | 1.003307 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.600293 | -.16951290 |
| 2 | 1s | 10.716336 | .17830497 |
| 3 | 1s | 43.459917 | .00020511 |
| 4 | 2s | 4.707948 | -.27874154 |
| 5 | 3s | 1.984961 | .88520576 |
| 6 | 4s | 3.400714 | .18136839 |
| 7 | 3s | 29.660506 | -.00063012 |
| 8 | 5s | 1.772500 | .02418226 |
| 9 | 4s | .560035 | -.00020473 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.770622 | < R2 > | 3.587876 | < 1/R > | .757111 | < 1/R**2 > | 3.261102 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.924769 | .47479083 |
| 2 | 3p | 6.070926 | .49862229 |
| 3 | 4p | 4.808847 | .12606487 |
| 4 | 5p | 3.139644 | .00310880 |
| 5 | 2p | 15.364567 | .00812483 |
| 6 | 4p | 26.422035 | -.00068394 |
| 7 | 3p | 32.749172 | -.00008225 |
| 8 | 3p | .965670 | .00008555 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .482962 | < R2 > | .291202 | < 1/R > | 2.708221 | < 1/R**2 > | 10.296947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195101 | .36021296 |
| 2 | 2s | 5.445787 | -.77637880 |
| 3 | 3s | 4.879617 | -.17107808 |
| 4 | 5s | 24.132448 | .00152726 |
| 5 | 2s | 6.753833 | -.17542648 |
| 6 | 3s | 15.542800 | .00746565 |
| 7 | 4s | 3.769267 | -.00390418 |
| 8 | 4s | 28.497919 | .00133534 |
| 9 | 5s | 1.905751 | -.00004159 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514758 | < R2 > | .314659 | < 1/R > | 2.836326 | < 1/R**2 > | 33.155540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560811 | 1.01529282 |
| 2 | 2s | 19.686279 | -.02550358 |
| 3 | 3s | 11.156120 | .01966967 |
| 4 | 4s | 50.750376 | -.00002051 |
| 5 | 4s | 29.798796 | .00126852 |
| 6 | 2s | 59.778488 | .00003407 |
| 7 | 5s | 13.212825 | -.00537372 |
| 8 | 3s | 6.723011 | .00075504 |
| 9 | 4s | 1.826130 | -.00000343 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574377 | < 1/R**2 > | 428.643488 |
Total Energy= -339.77736176 a.u.
Kinetic Energy= 339.77883641 a.u.
Potential Energy= -679.55619817 a.u.
Virial Ratio = -1.99999566