(1s 2 2s 2 2p 1 4s 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 5.380789 | .03197996 |
| 2 | 2s | .985628 | -.44196813 |
| 3 | 3s | .939355 | .81092370 |
| 4 | 4s | .358972 | -1.21154335 |
| 5 | 5s | 1.438127 | -.13451114 |
| 6 | 5s | .754489 | .39153232 |
| 7 | 4s | 4.271882 | -.01525021 |
| 8 | 5s | 13.904585 | .00021201 |
| ORB.ENERGY,a.u. | -.056395 | ||
| NORM | 1.000000 | < R > | 13.402654 | < R2 > | 202.628459 | < 1/R > | .100268 | < 1/R**2 > | .067181 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.596212 | .76879317 |
| 2 | 2p | 2.448349 | .27930435 |
| 3 | 2p | 6.755078 | .00898634 |
| 4 | 3p | 2.832218 | -.06912515 |
| 5 | 4p | 1.533455 | .05874534 |
| 6 | 4p | 9.813718 | -.00064985 |
| 7 | 5p | .441444 | -.00054216 |
| ORB.ENERGY,a.u. | -.764060 | ||
| NORM | 1.000000 | < R > | 1.475636 | < R2 > | 2.702624 | < 1/R > | .883784 | < 1/R**2 > | 1.100313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.598199 | .23902436 |
| 2 | 2s | 1.496778 | -.78973609 |
| 3 | 3s | 2.948030 | -.27640556 |
| 4 | 4s | 10.645380 | .00408664 |
| 5 | 5s | 5.892231 | -.02397168 |
| 6 | 5s | 1.904637 | .06354695 |
| 7 | 4s | 9.784497 | -.00166092 |
| 8 | 4s | .351333 | .01012729 |
| 9 | 3s | .296718 | -.00718624 |
| 10 | 3s | 42.975366 | -.00000946 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.477019 | < R2 > | 2.597733 | < 1/R > | .960550 | < 1/R**2 > | 3.712266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213089 | .71615114 |
| 2 | 1s | 8.200450 | .22617429 |
| 3 | 1s | 2.319482 | .00326262 |
| 4 | 2s | 6.448644 | .08068597 |
| 5 | 3s | 6.802904 | -.01400431 |
| 6 | 4s | 10.941429 | .00569596 |
| 7 | 5s | 42.757603 | -.00002508 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268103 | < R2 > | .096879 | < 1/R > | 5.668480 | < 1/R**2 > | 65.302271 |
Total Energy= -37.34813832 a.u.
Kinetic Energy= 37.34861055 a.u.
Potential Energy= -74.69674887 a.u.
Virial Ratio = -1.99998736