(1s 2 2s 2 2p 3 3p 1 ) 3 P S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 3.064971 | 1.35909419 |
| 2 | 3p | 3.323699 | -2.09024492 |
| 3 | 2p | 9.967126 | .08779806 |
| 4 | 4p | 5.622174 | -.09536649 |
| 5 | 5p | 2.656093 | -.01270749 |
| 6 | 5p | 17.247085 | .00257001 |
| 7 | 4p | 37.723029 | -.00013904 |
| 8 | 4p | 2.183191 | .00735227 |
| ORB.ENERGY,a.u. | -5.245500 | ||
| NORM | 1.000000 | < R > | 1.207758 | < R2 > | 1.650712 | < 1/R > | 1.079180 | < 1/R**2 > | 2.332154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.279225 | 1.29369019 |
| 2 | 3p | 8.089707 | -.35909654 |
| 3 | 4p | 9.945586 | .06812920 |
| 4 | 5p | 4.288459 | -.00977789 |
| 5 | 4p | 26.115194 | -.00194960 |
| 6 | 3p | 33.775359 | -.00030678 |
| 7 | 4p | 3.270582 | -.00686947 |
| ORB.ENERGY,a.u. | -15.249000 | ||
| NORM | 1.000000 | < R > | .386100 | < R2 > | .180493 | < 1/R > | 3.283350 | < 1/R**2 > | 14.668029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.648054 | .40993671 |
| 2 | 2s | 6.871357 | -.86510899 |
| 3 | 3s | 6.538370 | -.29059123 |
| 4 | 4s | 27.113933 | .00193677 |
| 5 | 3s | 14.721045 | .01680678 |
| 6 | 5s | 6.080463 | -.00895702 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .444212 | < R2 > | .231888 | < 1/R > | 3.297046 | < 1/R**2 > | 44.294076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.173928 | .93739980 |
| 2 | 1s | 23.637641 | .06057684 |
| 3 | 2s | 13.657132 | .01849203 |
| 4 | 3s | 19.232280 | -.01476745 |
| 5 | 4s | 29.429263 | .00271607 |
| 6 | 5s | 55.984239 | .00008334 |
| 7 | 5s | 12.137994 | .00059120 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096762 | < R2 > | .012561 | < 1/R > | 15.605540 | < 1/R**2 > | 490.702945 |
Total Energy= -356.72877546 a.u.
Kinetic Energy= 356.64532633 a.u.
Potential Energy= -713.37410178 a.u.
Virial Ratio = -2.00023398