(1s 2 2s 1 3p 1 ) 1 P N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p | 1.387417 | -1.53042249 |
| 2 | 2p | 1.695193 | .91813421 |
| 3 | 2p | 5.068841 | .05382706 |
| 4 | 4p | 6.098670 | .02009805 |
| 5 | 5p | 2.905857 | -.02595957 |
| 6 | 2p | 50.265299 | -.00000118 |
| ORB.ENERGY,a.u. | -.961640 | ||
| NORM | 1.000001 | < R > | 2.865721 | < R2 > | 9.497961 | < 1/R > | .496425 | < 1/R**2 > | .536826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.801397 | .35260819 |
| 2 | 2s | 2.677038 | -.87388247 |
| 3 | 3s | 3.017316 | -.24522032 |
| 4 | 4s | 7.074068 | .03292891 |
| 5 | 3s | 9.105547 | .01270599 |
| 6 | 5s | 5.565057 | -.00736032 |
| 7 | 4s | 10.613099 | .00658343 |
| 8 | 5s | 1.433821 | .00056183 |
| ORB.ENERGY,a.u. | -3.136200 | ||
| NORM | 1.000000 | < R > | 1.063403 | < R2 > | 1.318987 | < 1/R > | 1.353549 | < 1/R**2 > | 7.402439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.269940 | .88850377 |
| 2 | 1s | 9.923223 | .11718934 |
| 3 | 2s | 4.543452 | .01868581 |
| 4 | 3s | 5.794404 | -.02645216 |
| 5 | 4s | 6.398775 | .00597367 |
| 6 | 5s | 16.409122 | .00200345 |
| 7 | 5s | 53.392780 | -.00004020 |
| 8 | 3s | 3.028024 | .00072337 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .227225 | < R2 > | .069461 | < 1/R > | 6.673232 | < 1/R**2 > | 90.261451 |
Total Energy= -49.30748682 a.u.
Kinetic Energy= 49.28840440 a.u.
Potential Energy= -98.59589122 a.u.
Virial Ratio = -2.00038716